Daclatasvir dihydrochloride

Alternative_name

methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;dihydrochloride; BMS 790052-05
Description

Daclatasvir is a highly selective inhibitor of HCV NS5A with EC₅₀ of 9-50 pM, for a broad range of HCV replicon genotypes and the JFH-1 genotype 2a infectious virus in cell culture.
CAS Number

1009119-65-6
Structure Available

Yes
Salt Form

No
Molecular Formula

C₄₀H₅₀N₈O₆·2HCl
Molecular Weight

811.8
Cell Permeable

Yes
Purity

≥98% by HPLC
Solubilities

DMSO
Handling

Protect from air and light
Tag Line

A highly selective HCV NS5A inhibitor
Storage Condition

-20°C
Shipping Condition

gel pack
Shelf Life

36 months
PubChem CID

25154713
PubChem CID Link
SMILES

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC.Cl.Cl
InChi

InChI=1S/C40H50N8O6.2ClH/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6;;/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52);2*1H/t31-,32-,33-,34-;;/m0../s1
InChi Key

BVZLLUDATICXCI-JMSCDMLISA-N
Data Sheet Link
MSDS Available

Yes