Danoprevir (ITMN-191, RG7227) is a peptide inhibitor that acts on the NS3/4A protease of hepatitis C virus (HCV) with an IC50 of 0.2-3.5 nM, and the effect of inhibiting HCV 1A/1B/4/5/6 genotype is about 10 times higher than that of inhibiting 2B/3A genotype. Phase 2.

 

Brand: BCM

 

Target: HCV Protease; SARS-CoV

 

Signaling Pathways: Microbiology/Virology; Proteases/Proteasome

 

In Vivo: In rats or monkeys,Danoprevir (30 mg/kg) was administered.

 

Melting Point: >165°C (dec.)

 

pKa: 4.43±0.60(Predicted)

 

Solubility: Soluble in DMSO; Soluble in Ethanol. Insoluble in Water.

 

GHS: GHS07

 

Isomeric SMILES: CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)NS(=O)(=O)C6CC6  

 

InChIKey: ZVTDLPBHTSMEJZ-JSZLBQEHSA-N  

 

InChI: InChI=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

 

Attribute
[Chem Name]	[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate
[Synonym]	Danoprevir; ITMN-191; RG7227
[CAS No.]	850876-88-9
[MDL No.]	MFCD16038038
[Formula]	C35H46FN5O9S
[Molecular]	731.83
[Form]	White to Pale Beige Solid
[Storage]	Sealed in dry, 2-8°C

Goods Tag