Pravastatin Sodium Salt, HMG-CoA reductase inhibitor

주요 정보

CAS 번호

81131-70-6

Purity

>98%

제형

Solid

form

Molecular weight

446.5 Da

Molecular formula

C₂₃H₃₅NaO₇

PubChem

16759173

Nature

Synthetic

Solubility

Soluble in water

생화학적 명칭

Pravastatin sodium

생물학적 정보

Potent, competitive HMG-CoA reductase inhibitor (IC₅₀ = 95 nM). Biologically active metabolite of mevastatin (ab120652). Immunomodulator and cardiotropic agent. Active in vivo and in vitro. Water-soluble.

Canonical SMILES

CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)[O-])O)O)O.[Na+]

Isomeric SMILES

CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)O.[Na+]

InChi

InChI=1S/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/q;+1/p-1/t13-,14-,16+,17+,18+,19-,20-,22-;/m0./s1

InChiKey

VWBQYTRBTXKKOG-IYNICTALSA-M

IUPAC Name

sodium;(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate