Rentiapril racemate

COA

级别和纯度:

≥98%

CAS编号: 72679-47-1
分子式: C₁₃H₁₅NO₄S₂
分子量: 313.39
PubChem编号: 122113

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货号 (SKU)	包装规格	是否现货
R648399-5mg	5mg	期货
R648399-10mg	10mg	期货
R648399-25mg	25mg	期货
R648399-50mg	50mg	期货

查看相关系列

Amino Acid/Protein Metabolism (4559) Angiotensin-converting Enzyme (ACE) (81) Metabolic Enzyme/Protease (4889)

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基本描述

别名	伦替普利消旋体
英文别名	DTXSID10868597 \| 2-(2-hydroxyphenyl)-3-(3-mercaptopropanoyl)thiazolidine-4-carboxylic acid \| 2-(2'-Hydroxyphenyl)-3-(3-mercaptopropanoyl)-4-thiazolidine carboxylic acid \| SA 446 \| AKOS040742537 \| 4-Thiazolidinecarboxylic acid, 2-(2-hydroxyphenyl)-3-(3-mer
规格或纯度	≥98%
英文名称	Rentiapril racemate
生化机理	消旋伦替普利（SA-446消旋体）是伦替普利的消旋体。伦替普利是一种血管紧张素转换酶（ACE）抑制剂。
储存温度	2-8°C储存,避光,干燥
运输条件	冰袋运输
产品介绍	Rentiapril racemate (SA-446 racemate) is the racemate of Rentiapril. Rentiapril is an angiotensin converting enzyme ( ACE ) inhibitor. In Vivo A three-months toxicity study of an angiotensin converting enzyme (ACE) inhibitor, Rentiapril (CAS 80830-42-8), is performed in Sprague-Dawley rats by oral administration. The dose levels of 0, 30, 125, 500 and 1000 mg/kg are tested in both sexes, in which each experimental group comprised 10 rats. Another ACE inhibitor, captopril, is used as a reference compound. Rentiapril at the highest dose of 1000 mg/kg causes low food consumption and death of some animals with signs of bloody feces and anemia. In males and females receiving 500 and 1000 mg/kg, there are low body weight gain, increases in water intake, urine volume and serum BUN level, and decreases in levels of various erythrocytic parameters. Kidney weight is increased dose-dependently in both sexes. Histopathologically, renal changes in the 500 and 1000 mg/kg groups consist of proximal tubular degeneration, juxtaglomerular cell hyperplasia and interstitial cell infiltration. Similar, but mild, changes in proximal tubules are present in the female 125 mg/kg group. Dead animals from the highest dose groups further show gastrointestinal hemorrhagic erosion and/or ulcer, decrease bone marrow erythropoiesis and hepatocytic vacuolar degeneration. There is no pathological alteration in rats from other Rentiapril-treated groups, as well as in controls. These results indicate that the no-effect dose of Rentiapril in rats by three months oral administration is 30 mg/kg in female and 125 mg/kg in male . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:Angiotensin converting enzyme (ACE)
纯度	≥98%

关联靶点（人）

ACE Tclin 血管紧张素转换酶(Angiotensin-converting enzyme) (2 活性数据)

点击查看靶蛋白信息： ACE

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

分子类型	小分子
IIUPAC Name	2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
INCHI	1S/C13H15NO4S2/c15-10-4-2-1-3-8(10)12-14(11(16)5-6-19)9(7-20-12)13(17)18/h1-4,9,12,15,19H,5-7H2,(H,17,18)
InChi Key	BSHDUMDXSRLRBI-UHFFFAOYSA-N
Smiles	C1C(N(C(S1)C2=CC=CC=C2O)C(=O)CCS)C(=O)O
Isomeric SMILES	C1C(N(C(S1)C2=CC=CC=C2O)C(=O)CCS)C(=O)O
关联CAS	72679-47-1
PubChem CID	122113
MeSH Entry Terms	2-(2'-hydroxyphenyl)-3-(3-mercaptopropanoyl)-4-thiazolidine carboxylic acid;rentiapril;rentiapril, (2R-cis)-isomer;SA 446;SA-446
分子量	313.39

化学和物理性质

溶解性	DMSO : 100 mg/mL (319.09 mM; Need ultrasonic)
分子量	313.400 g/mol
XLogP3	1.300
氢键供体数Hydrogen Bond Donor Count	3
氢键受体数Hydrogen Bond Acceptor Count	6
可旋转键计数Rotatable Bond Count	4
精确质量Exact Mass	313.044 Da
单同位素质量Monoisotopic Mass	313.044 Da
拓扑极表面积Topological Polar Surface Area	104.000 Å²
重原子数Heavy Atom Count	20
形式电荷Formal Charge	0
复杂度Complexity	379.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	2
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

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