Danoprevir structure, CAS 850876-88-9

Danoprevir

CAS Number850876-88-9

SynonymsDanoprevir; (2R,6S)-2,6-dimethyl-4-(4piperidinyl) morpholine; 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetic acid; Danoprevir (ITMN-191); (2R,6S)-(2,6-dimethylmorpholin-4-yl)acetic acid,hydrochloride; (2,6-dimethylmorpholin-4-yl)acetic acid hydrochloride; RG7227

Molecular FormulaC35H46O9N5S1F1

Molecular Weight731.84

Purity

Density1.4±0.1 g/cm3

Boiling Point

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-2187149 Purity:
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Quality Control of [ 850876-88-9 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number850876-88-9
Catalog No.2A-2187149
Chinese Name丹诺普韦
SynonymsDanoprevir; (2R,6S)-2,6-dimethyl-4-(4piperidinyl) morpholine; 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetic acid; Danoprevir (ITMN-191); (2R,6S)-(2,6-dimethylmorpholin-4-yl)acetic acid,hydrochloride; (2,6-dimethylmorpholin-4-yl)acetic acid hydrochloride; RG7227
Molecular FormulaC35H46O9N5S1F1
Molecular Weight731.84
Density1.4±0.1 g/cm3
Appearancepowder
Storage Condition-20℃
ApplicationDanoprevir is a peptide mimetic inhibitor that inhibits HCV NS3/4A protease with an IC50 value of 0.2-3.5 nM.
PubChem ID16372451
MDL NumberMFCD16038038
SMILESCC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CC(OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O
InChIInChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1
InChI KeyZVTDLPBHTSMEJZ-ZVROSQLSSA-N
Transport InfoProduct name: Danoprevir (ITMN-191)
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