For research use only. Not for therapeutic Use.
Yimitasvir (Emitasvir) diphosphate is an orally active hepatitis C virus (HCV) nonstructural protein 5A (NS5A) inhibitor and can be used for research of chronic hepatitis C virus infection[1].
Catalog Number | I043372 |
CAS Number | 1959593-63-5 |
Synonyms | methyl N-[(2S)-1-[(2S)-2-[5-[4-[(1S,8R)-6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;phosphoric acid |
Molecular Formula | C49H64N8O14P2 |
Purity | ≥95% |
InChI | InChI=1S/C49H58N8O6.2H3O4P/c1-26(2)42(54-48(60)62-5)46(58)56-21-7-9-38(56)44-50-25-37(53-44)29-13-11-28(12-14-29)33-18-19-34(41-32-16-15-31(23-32)40(33)41)30-17-20-35-36(24-30)52-45(51-35)39-10-8-22-57(39)47(59)43(27(3)4)55-49(61)63-6;2*1-5(2,3)4/h11-14,17-20,24-27,31-32,38-39,42-43H,7-10,15-16,21-23H2,1-6H3,(H,50,53)(H,51,52)(H,54,60)(H,55,61);2*(H3,1,2,3,4)/t31-,32+,38-,39-,42-,43-;;/m0../s1 |
InChIKey | KRUXCUGAHYWSKK-ZHMFATAFSA-N |
SMILES | CC(C)C(C(=O)N1CCCC1C2=NC3=C(N2)C=C(C=C3)C4=C5C6CCC(C6)C5=C(C=C4)C7=CC=C(C=C7)C8=CN=C(N8)C9CCCN9C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC.OP(=O)(O)O.OP(=O)(O)O |
Reference | [1]. Huiying Rao, et al. Efficacy and Safety of All-oral Emitasvir and Sofosbuvir in Patients with Genotype 1b HCV Infections without Cirrhosis. J Clin Transl Hepatol. 2020 Sep 28;8(3):255-261. |