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ChemicalBook--->CAS DataBase List--->850876-88-9

850876-88-9

850876-88-9 Structure

850876-88-9 Structure
IdentificationBack Directory
[Name]

RG7227, ITMN-191, RO5190591
[CAS]

850876-88-9
[Synonyms]

CS-64
R7227
RG7227
RG72277
ITMN-191
RO5190591
Danoprevir
Danpprevir
Intepirdine
Danoprevir, >=98%
Danoprevir (RG7227)
Danoprevir(ITMN-191)
Itmn-191 Danoprevir
RG7227, ITMN-191, RO5190591
Danoprevir(ITMN-191, RG7227)
Danoprevir - ITMN 191 | RG 7227 | R 7227
ITMN-191; R7227; RO5190591; RG7227;ITMN191;ITMN 191
dimethylethoxy)carbonyl]amino]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl ester Danoprevir (ITMN-191)
2H-Isoindole-2-carboxylic acid, 4-fluoro-1,3-dihydro-, (2R,6S,13aS,14aR,16aS)-14a-[[(cyclopropylsulfonyl)amino]carbonyl]-6-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-5,16-dio
(2R,6S,13aS,14aR,16aS,)-6-((tert-Butoxycarbonyl)amino)-14a-((cyclopropylsulfonyl)carbamoyl)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoroisoindoline-2-carboxylate
(2R,6S,13aS,14aR,16aS,Z)-6-((tert-butoxycarbonyl)amino)-14a-((cyclopropylsulfonyl)carbamoyl)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoroisoindoline-2-carboxylate
(2R,6S,13aS,14aR,16aS,E)-6-((tert-butoxycarbonyl)aMino)-14a-((cyclopropylsulfonyl)carbaMoyl)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoroisoindoline-2-carboxylate
4-Fluoro-1,3-dihydro-2H-isoindole-2-carboxylic acid (2R,6S,13aS,14aR,16aS)-14a-[[(cyclopropylsulfonyl)amino]carbonyl]-6-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl ester
2H-Isoindole-2-carboxylic acid, 4-fluoro-1,3-dihydro-, (2R,6S,13aS,14aR,16aS)-14a-[[(cyclopropylsulfonyl)amino]carbonyl]-6-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl ester
[Molecular Formula]

C35H46FN5O9S
[MDL Number]

MFCD16038038
[MOL File]

850876-88-9.mol
[Molecular Weight]

731.83
Chemical PropertiesBack Directory
[Melting point ]

>165°C (dec.)
[density ]

1.41
[storage temp. ]

-20°C Freezer
[solubility ]

Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White to Pale Beige
[InChIKey]

ZVTDLPBHTSMEJZ-AIYSODCISA-N
[SMILES]

C1C2=C(C(F)=CC=C2)CN1C(O[C@H]1CN2C(=O)[C@@H](NC(OC(C)(C)C)=O)CCCCCC=C[C@]3([H])C[C@@]3(C(NS(C3CC3)(=O)=O)=O)NC(=O)[C@]2([H])C1)=O |t:33|
Hazard InformationBack Directory
[Description]

Danoprevir is an orally bioavailable inhibitor of hepatitis C virus (HCV) nonstructural protein 3/4A (NS3/4A; IC50 = 1 nM), a serine protease essential for HCV replication. It is selective for NS3/4A over a panel of 53 proteases at a concentration of 10 μM. Danoprevir inhibits replication of the HCV genotypes 1a, 1b, 4, 5, and 6 (IC50s = 0.2-0.4 nM) as well as 2b and 3a (IC50s = 1.6 and 3.5 nM, respectively) in vitro. It also reduces the number of HCV genotype 1b replicons in Huh-7 cells (EC50 = 1.8 nM).
[Uses]

Danoprevir is a selective and potent inhibitor of Hepatitis C virus.
[target]

HCV NS3/4A protease
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

RG7227, ITMN-191, RO5190591(850876-88-9)1HNMR
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