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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: (S)-3-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid hydrochloride(SMILESS: O=C([C@H](CN1C)N(C([C@@H](N[C@@H](CCC2=CC=CC=C2)C(OCC)=O)C)=O)C1=O)O.[H]Cl,cas:89396-94-1) is researched.Name: Aluminum triquinolin-8-olate. The article 《Purely in Silico BCS Classification: Science Based Quality Standards for the World’s Drugs》 in relation to this compound, is published in Molecular Pharmaceutics. Let’s take a look at the latest research on this compound (cas:89396-94-1).

BCS classification is a vital tool in the development of both generic and innovative drug products. The purpose of this work was to provisionally classify the world’s top selling oral drugs according to the BCS, using in silico methods. Three different in silico methods were examined: the well-established group contribution (CLogP) and atom contribution (ALogP) methods, and a new method based solely on the mol. formula and element contribution (KLogP). Metoprolol was used as the benchmark for the low/high permeability class boundary. Solubility was estimated in silico using a thermodn. equation that relies on the partition coefficient and m.p. The validity of each method was affirmed by comparison to reference data and literature. We then used each method to provisionally classify the orally administered, IR drug products found in the WHO Model list of Essential Medicines, and the top-selling oral drug products in the United States (US), Great Britain (GB), Spain (ES), Israel (IL), Japan (JP), and South Korea (KR). A combined list of 363 drugs was compiled from the various lists, and 257 drugs were classified using the different in silico permeability methods and literature solubility data, as well as BDDCS classification. Lastly, we calculated the solubility values for 185 drugs from the combined set using in silico approach. Permeability classification with the different in silico methods was correct for 69-72.4% of the 29 reference drugs with known human jejunal permeability, and for 84.6-92.9% of the 14 FDA reference drugs in the set. The correlations (r2) between exptl. log P values of 154 drugs and their CLogP, ALogP and KLogP were 0.97, 0.82 and 0.71, resp. The different in silico permeability methods produced comparable results: 30-34% of the US, GB, ES and IL top selling drugs were class 1, 27-36.4% were class 2, 22-25.5% were class 3, and 5.46-14% were class 4 drugs, while ∼8% could not be classified. The WHO list included significantly less class 1 and more class 3 drugs in comparison to the countries’ lists, probably due to differences in commonly used drugs in developing vs. industrial countries. BDDCS classified more drugs as class 1 compared to in silico BCS, likely due to the more lax benchmark for metabolism (70%), in comparison to the strict permeability benchmark (metoprolol). For 185 out of the 363 drugs, in silico solubility values were calculated, and successfully matched the literature solubility data. In conclusion, relatively simple in silico methods can be used to estimate both permeability and solubility While CLogP produced the best correlation to exptl. values, even KLogP, the most simplified in silico method that is based on mol. formula with no knowledge of mol. structure, produced comparable BCS classification to the sophisticated methods. This KLogP, when combined with a mean m.p. and estimated dose, can be used to provisionally classify potential drugs from just mol. formula, even before synthesis. 49-59% of the world’s top-selling drugs are highly soluble (class 1 and class 3), and are therefore candidates for waivers of in vivo bioequivalence studies. For these drugs, the replacement of expensive human studies with affordable in vitro dissolution tests would ensure their bioequivalence, and encourage the development and availability of generic drug products in both industrial and developing countries.

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Reference:
Copper catalysis in organic synthesis – NCBI,
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Formula: C20H28ClN3O6. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: (S)-3-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid hydrochloride, is researched, Molecular C20H28ClN3O6, CAS is 89396-94-1, about Analysis of patients with drug-induced pemphigoid using the Japanese Adverse Drug Event Report database. Author is Tanaka, Hiroyuki; Ishii, Toshihiro.

To clarify the incidence of drug-induced pemphigoid in Japan, we conducted a database search and anal. using the Japanese Adverse Drug Event Report database (JADER). Among the cases recorded in JADER between Apr. 2004 and Nov. 2017, we targeted “”pemphigoid”” and analyzed the patients’ backgrounds, drug involvement, time of pemphigoid onset, outcomes and year reported. For cases where three or more drugs were reportedly involved, the signal index was calculated using the reporting odds ratio (ROR) method. The total number of reported pemphigoid cases was 769. Males accounted for 58% (446 cases) and patients over the age of 60 years accounted for 82% (630 cases). The most frequently reported causative drug was vildagliptin (288 cases), followed in order by sitagliptin phosphate hydrate (102 cases), teneligliptin hydrobromide hydrate (86 cases), linagliptin (64 cases) and furosemide (46 cases). For the 27 causative drugs, the safety signal was detected by the ROR method. The median time to onset tended to be long for these drugs. For vildagliptin with the largest reported number, the value was 508 days (range, 2-1871). Anal. of outcomes demonstrated recovery or improvement in 66.3% of cases. Anal. of the years in which reports had been published revealed that the number of pemphigoid cases has increased rapidly in recent years. Our survey was able to reveal useful data on the incidence of drug-induced pemphigoid. We expect that these results will aid the early detection and treatment of this condition.

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SDS of cas: 89396-94-1. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: (S)-3-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid hydrochloride, is researched, Molecular C20H28ClN3O6, CAS is 89396-94-1, about Inhibition of human liver carboxylesterase (hCE1) by organophosphate ester flame retardants and plasticizers: implications for pharmacotherapy. Author is Phillips, Allison L.; Stapleton, Heather M..

Organophosphate ester (OPE) flame retardants and plasticizers, consumer product additives with widespread human exposure, were evaluated for their effect on the activity of purified human liver carboxylesterase (hCE1). Four of the 15 OPEs tested had IC50 values lower than 100 nM, including tri-Ph phosphate (TPHP), 2-ethylhexyl di-Ph phosphate (EHDPHP), 4-isopropylphenyl di-Ph phosphate (4IPPDPP), and 4-tert-butylphenyl di-Ph phosphate (4tBPDPP), as did 4 of the com. flame retardant mixtures tested. Because hCE1 is critical for the activation of imidapril, an angiotensin-converting enzyme-inhibitor prodrug prescribed to treat hypertension, the most potent inhibitors, TPHP and 4tBPDPP, and an environmentally relevant mixture (house dust) were further evaluated for their effect on imidapril bioactivation in vitro. TPHP and 4tBPDPP were potent inhibitors of hCE1-mediated imidapril activation (Ki = 49.0 and 17.9 nM, resp.). House dust extracts (100 μg/mL) also caused significant reductions (up to 33%) in imidapril activation. Combined, these data suggest that exposure to OPEs may affect pharmacotherapy.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: (S)-3-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid hydrochloride, is researched, Molecular C20H28ClN3O6, CAS is 89396-94-1, about Effect of a centrally active angiotensin-converting enzyme inhibitor, perindopril, on cognitive performance in a mouse model of Alzheimer’s disease, the main research direction is antipsychotic perindopril imidapril enalapril cognition memory behavior Alzheimer disease.Synthetic Route of C20H28ClN3O6.

Angiotensin-converting enzyme (ACE) inhibitors have clin. been widely used as anti-hypertensive agents. In the present study, we compared the effects of a centrally active ACE inhibitor, perindopril, with those of non-centrally active ACE inhibitors, imidapril and enalapril, on cognitive performance in amyloid β(Aβ) 25-35-injected mice, a rodent model of Alzheimer’s disease. We also determined the brain ACE activity in order to elucidate the relationship between the cognitive function and ACE inhibition in the brain. Aβ25-35-injected mice showed a cognitive impairment in spontaneous alteration and object recognition tests, the indexes of immediate working memory and relatively long-term recognition memory, resp. As indicated by these tests, the oral administration of perindopril (0.1, 0.3 or 1 mg/kg/day) significantly reversed the cognitive impairment in these mice, whereas neither imidapril (0.3, 1 or 3 mg/kg/day) nor enalapril (1, 3 or 10 mg/kg/day) had any effect on cognitive performance. Perindopril (1 mg/kg/day), imidapril (3 mg/kg/day), or enalapril (10 mg/kg/day) all inhibited the plasma ACE activities by more than 90%. Using the same dosing regimen, only perindopril inhibited the brain ACE activities by more than 50%, whereas imidapril and enalapril showed much less potent effects. These results suggest that perindopril ameliorated the cognitive impairment in the Alzheimer’s disease model mice through the inhibition of brain ACE activity, but not peripheral ACE activity. Based on our observations, we concluded that a centrally active ACE inhibitor, perindopril, may therefore have a beneficial effect on Alzheimer’s disease as well as hypertension.

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Reference of (S)-3-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid hydrochloride. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: (S)-3-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid hydrochloride, is researched, Molecular C20H28ClN3O6, CAS is 89396-94-1, about Protective effect on renal function by ACE-I imidapril hydrochloride. Author is Matsuoka, Hirochika.

The protective effect on renal function by the ACE inhibitor imidapril hydrochloride was studied in patients with hypertension. Imidapril hydrochloride had antihypertensive and renoprotective actions.

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Minamino, Tetsuo; Kim, Jiyoong; Asakura, Masanori; Shintani, Yasunori; Asanuma, Hiroshi; Kitakaze, Masafumi; J-WIND Investigators published an article about the compound: (S)-3-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid hydrochloride( cas:89396-94-1,SMILESS:O=C([C@H](CN1C)N(C([C@@H](N[C@@H](CCC2=CC=CC=C2)C(OCC)=O)C)=O)C1=O)O.[H]Cl ).Electric Literature of C20H28ClN3O6. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:89396-94-1) through the article.

Background: The benefits of percutaneous coronary intervention (PCI) in acute myocardial infarction (AMI) are limited by reperfusion injury. In animal models, nicorandil, a hybrid of an ATP-sensitive K+ (KATP) channel opener and nitrates, reduces infarct size, so the Japan-Working groups of acute myocardial Infarction for the reduction of Necrotic Damage by a K-ATP channel opener (J-WIND-KATP) designed a prospective, randomized, multicenter study to evaluate whether nicorandil reduces myocardial infarct size and improves regional wall motion when used as an adjunctive therapy for AMI. Methods and Results: Twenty-six hospitals in Japan are participating in the J-WIND-KATP study. Patients with AMI who are candidates for PCI are randomly allocated to receive either i.v. nicorandil or placebo. The primary end-points are (1) estimated infarct size and (2) left ventricular function. Single nucleotide polymorphisms (SNPs) that may be associated with the function of KATP-channel and the susceptibility of AMI to the drug will be examined Furthermore, a data mining method will be used to design the optimal combined therapy for post-myocardial infarction (MI) patients. Conclusions: It is intended that J-WIND-KATP will provide important data on the effects of nicorandil as an adjunct to PCI for AMI and that the SNPs information that will open the field of tailor-made therapy. The optimal therapeutic drug combination will also be determined for post-MI patients.

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: (S)-3-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid hydrochloride, is researched, Molecular C20H28ClN3O6, CAS is 89396-94-1, about Studies on angiotensin converting enzyme inhibitors. 4. Synthesis and angiotensin converting enzyme inhibitory activities of 3-acyl-1-alkyl-2-oxoimidazolidine-4-carboxylic acid derivatives.HPLC of Formula: 89396-94-1.

(4S)-1-Alkyl-3-[[N-(carboxyalkyl)amino]acyl]-2-oxoimidazolidine-4-carboxylic acid derivatives, e.g. I [R1 = H, R2 = (S)-Me, R3 = CH2CH2Ph] were prepared by two methods. Their angiotensin-converting enzyme (ACE) inhibitory activities and antihypertensive effects were evaluated, and the structure-activity relationships were discussed. The dicarboxylic acids possessing the S,S,S-configuration showed potent in vitro ACE inhibitory activities with IC50 values of (1.1 × 10-8-1.5 × 10-9 M. The most potent compound in this series, monoester I·HCl [R1 = Et, R2 = (S)-Me, R3 = CH2CH2Ph] had an ID50 value of 0.24 mg/kg, po for inhibition of angiotensin I-induced pressor response in normotensive rats and produced a dose-dependent decrease in systolic blood pressure of spontaneously hypertensive rats (SHRs) at doses of 1-10 mg/kg, po.

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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Research Support, Non-U.S. Gov’t, Drug Development and Industrial Pharmacy called Effect of pharmaceutical excipients on the stability of angiotensin-converting enzyme inhibitors in their solid dosage formulations, Author is Stanisz, Beata; Regulska, Katarzyna; Kania, Jagoda; Garbacki, Piotr, which mentions a compound: 89396-94-1, SMILESS is O=C([C@H](CN1C)N(C([C@@H](N[C@@H](CCC2=CC=CC=C2)C(OCC)=O)C)=O)C1=O)O.[H]Cl, Molecular C20H28ClN3O6, Application of 89396-94-1.

The compatibility studies of moexipril hydrochloride (MOXL), imidapril hydrochloride (IMD), enalapril maleate, (ENA) and lisinopril (LIS) in solid state with magnesium stearate and glyceryl behenate were performed. The aim of this study was to detect any possible drug-excipient interactions to optimize technol. process conditions by the selection of the most adequate lubricant. Reversed-phase high-performance liquid chromatog. was employed for studying drug-excipient binary mixtures in 1:1 ratio and pure drugs under forced aging test conditions: temperature 318K (45°C) and relative humidity range of 50.9%-75.4%. The method had been revalidated prior to use. The degradation rate constants for the binary mixtures and pure substances were calculated The exptl. results evidenced that moexipril and enalapril degradation accorded with autocatalytic-second-order kinetics, imidapril degradation followed first-order reaction mechanism, and LIS followed reversible first-order reaction mechanism. A degradation pathway for each substance was proposed to account for the observed decomposition products. It was determined that moexipril stability decreased 3-fold in the presence of magnesium stearate indicating an incompatibility – (4.15 ± 0.12) 10-3 compared to (1.43 ± 0.32) 10-6 for moexipril in pure. No interaction between magnesium stearate and the remaining studied compounds was observed The stability studies of MOXL-glyceryl behenate binary mixture revealed no interaction. Magnesium stearate and increased relative humidity induce MOXL instability, while glyceryl behenate is an optimal lubricant, and therefore, it is recommended for moexipril-containing solid formulations. However, for the formulations containing moexipril and magnesium stearate, it is suggested to minimize the humidity level during storage.

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Application In Synthesis of (S)-3-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid hydrochloride. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: (S)-3-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid hydrochloride, is researched, Molecular C20H28ClN3O6, CAS is 89396-94-1, about Rationale and design of a large-scale trial using atrial natriuretic peptide (ANP) as an adjunct to percutaneous coronary intervention for ST-segment elevation acute myocardial infarction: Japan-working groups of acute myocardial infarction for the reduction of necrotic damage by ANP (J-WIND-ANP). Author is Asakura, Masanori; Kim, Jiyoong; Minamino, Tetsuo; Shintani, Yasunori; Asanuma, Hiroshi; Kitakaze, Masafumi; J-WIND Investigators.

Background: The benefits of percutaneous coronary intervention (PCI) in acute myocardial infarction (AMI) are limited by reperfusion injury. In animal models, atrial natriuretic peptide (ANP) reduces infarct size, so the Japan-Working groups of acute myocardial Infarction for the reduction of Necrotic Damage by ANP (J-WIND-ANP) designed a prospective, randomized, multicenter study, to evaluate whether ANP as an adjunctive therapy for AMI reduces myocardial infarct size and improves regional wall motion. Methods and Results: Twenty hospitals in Japan will participate in the J-WIND-ANP study. Patients with AMI who are candidates for PCI are randomly allocated to receive either i.v. ANP or placebo administration. The primary end-points are (1) estimated infarct size (Σ-creatine kinase and troponin T) and (2) left ventricular function (left ventriculograms). Single nucleotide polymorphisms (SNPs) that may be associated with the function of ANP and susceptibility of AMI will be examined Furthermore, a data mining method will be used to design the optimal combinational therapy for post-MI patients. Conclusions: J-WIND-ANP will provide important data on the effects of ANP as an adjunct to PCI for AMI and the SNPs information will open the field of tailor-made therapy. The optimal therapeutic drug combination will also be determined for post-MI patients.

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Hu, Chunxiu; Kong, Hongwei; Qu, Fengxue; Li, Yong; Yu, Zhenqiu; Gao, Peng; Peng, Shuangqing; Xu, Guowang published an article about the compound: (S)-3-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid hydrochloride( cas:89396-94-1,SMILESS:O=C([C@H](CN1C)N(C([C@@H](N[C@@H](CCC2=CC=CC=C2)C(OCC)=O)C)=O)C1=O)O.[H]Cl ).Application of 89396-94-1. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:89396-94-1) through the article.

Hypertension is a key risk factor in the progression of cardiovascular disease (CVD). Dyslipidemia, a strong predictor of CVD, frequently coexists with hypertension. Therefore, the control of hypertension and dyslipidemia may help reduce CVD morbidity and mortality. In the present study, the therapeutic effects of antihypertensive agents on blood pressure control and plasma lipid metabolism were evaluated. The plasma lipid profiles of patients with treated (n = 25) or untreated (n = 30) essential hypertension as well as of subjects with normotension (n = 28) were analyzed using liquid chromatog. mass spectrometry. Principal component anal. of the lipidomics data revealed distinct clusters among studied subjects across three human populations. Phosphatidylcholines and triacylglycerols (TG) dominated the pattern of hypertension-influenced plasma lipid metabolism Discriminatory lipid metabolites were analyzed using one-way anal. of variance followed by a post hoc multiple comparison correction. TG lipid class was significantly increased by 49.0% (p < 0.001) in hypertensive vs. normotensive groups while tended to decrease (-21.2%, p = 0.054) in hypertensive patients after treatment. Total cholesteryl esters were significantly decreased by -16.9% (p < 0.001) in hypertensive patients after treatment. In particular, a large number of individual neutral lipid species were significantly elevated in hypertensive subjects but significantly decreased after treatment with antihypertensive agents. The present study applied, for the first time, a systems biol. based lipidomics approach to investigate differentiation among plasma lipid metabolism of patients with treated/untreated essential hypertension and subjects with normotension. Our results demonstrate that antihypertensive medications to lower blood pressure of hypertensive patients to target levels produced moderate plasma lipid metabolism improvement of patients with hypertension. In addition to the literature in the link below, there is a lot of literature about this compound((S)-3-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)-1-methyl-2-oxoimidazolidine-4-carboxylic acid hydrochloride)Application of 89396-94-1, illustrating the importance and wide applicability of this compound(89396-94-1).

Reference:
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”