Danoprevir Chemical Properties

Melting point:

>165°C (dec.)

Density 

1.41

storage temp. 

-20°C Freezer

solubility 

Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)

form 

Solid

pka

4.43±0.60(Predicted)

color 

White to Pale Beige

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

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|

Danoprevir Usage And Synthesis

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

Danoprevir(850876-88-9)Related Product Information

• Everolimus
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