CAS 147526-32-7|calcium bis((3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate)|calcium(2+) bis((3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-...

基本信息

化学结构

分子式

C₅₀H₄₆CaF₂N₂O₈

分子量

880.9836464

精确质量

880.28481386

电荷

InChI

InChI=1S/2C25H24FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/b2*12-11+;/t2*18-,19-;/m11./s1

InChIKey

RHGYHLPFVJEAOC-FFNUKLMVSA-L

Canonic Smiles

O[C@H](C[C@@H](/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O)CC(=O)[O-].O[C@H](C[C@@H](/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O)CC(=O)[O-].[Ca+2]

Isomeric Smiles

c1ccc2c(c1)c(c(c(n2)C1CC1)/C=C/[C@@H](O)C[C@H](CC(=O)[O-])O)c1ccc(cc1)F.c1(c(c(c2c(n1)cccc2)c1ccc(cc1)F)/C=C/[C@@H](O)C[C@H](CC(=O)[O-])O)C1CC1.[Ca+2]

计算属性

JChem

Acid pKa

4.1270967

质子受体

质子供体

LogD (pH = 5.5)

2.5521677

LogD (pH = 7.4)

0.88797456

Log P

2.9240363

摩尔折射率

126.5763

极化性

46.615173

极化表面积

93.48

可自由旋转的化学键

里宾斯基五规则

false

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

Pitavastatin calciumLivalo

IUPAC标准名

calcium bis((3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate)

IUPAC传统名

calcium(2+) bis((3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate) calcium bis((3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate)

名称和标识

数据登录号

CAS号

147526-32-7

PubChem SID

162037718

PubChem CID

5282451

数据登录号

化合物性质

安全信息

保存条件

-20°C

产品相关信息

成盐信息

Calcium

纯度

95+%

化合物性质

分子相关蛋白质

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分子图谱

暂无数据

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描述信息

Selleck Chemicals

S1759

Research Area: Cardiovascular Disease
Biological Activity:
Pitavastatin calcium(Livalo) is a novel member of the medication class of statins. Like the other statins, it is an inhibitor of HMG-CoA reductase, the enzyme that catalyses the first step of cholesterol synthesis. Most statins are metabolised in part by one or more hepatic cytochrome P450 enzymes, leading to an increased potential for drug interactions and problems with certain foods (such as grapefruit juice). Pitavastatin appears to be a substrate of CYP2C9, and not CYP3A4 (which is a common source of interactions in other statins). [1]

描述信息

参考文献

PubChem文献

数据源提供

• http://en.wikipedia.org/wiki/Pitavastatin

参考文献

生物活性

PubChem BioAssay

生物活性

导航

基本信息

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