MedKoo Cat#: 314245
Name: Daclatasvir dihydrochloride
CAS#: 1009119-65-6 (2HCl salt); 1009119-64-5 (free base)
Chemical Formula: C40H50N8O6
Exact Mass: 738.38533
Molecular Weight: 738.88
Elemental Analysis: C, 65.02; H, 6.82; N, 15.17; O, 12.99
Synonym: Daclatasvir; BMS790052; BMS 790052; BMS-790052; EBP883; EBP 883; EBP-883; trade name Daklinza. PubchemCID 25154714
IUPAC/Chemical 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
InChi Key: BVZLLUDATICXCI-JMSCDMLISA-N
InChi Code: 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
SMILES Code: O=C(OC)N[C@@H](C(C)C)C(N1[C@H](C2=NC=C(C3=CC=C(C4=CC=C(C5=CN=C([C@H]6N(C([C@@H](NC(OC)=O)C(C)C)=O)CCC6)N5)C=C4)C=C3)N2)CCC1)=O.[H]Cl.[H]Cl
Technical Data
References
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2: Poole RM. Daclatasvir + Asunaprevir: first global approval. Drugs. 2014 Sep;74(13):1559-71. doi: 10.1007/s40265-014-0279-4. PubMed PMID: 25117197.
3: Eley T, Sevinsky H, Huang SP, He B, Zhu K, Kandoussi H, Gardiner D, Grasela DM, Bertz R, Bifano M. The pharmacokinetics of daclatasvir and asunaprevir administered in combination in studies in healthy subjects and patients infected with hepatitis c virus. Clin Drug Investig. 2014 Sep;34(9):661-71. doi: 10.1007/s40261-014-0219-9. PubMed PMID: 25117173.
4: Hézode C, Hirschfield GM, Ghesquiere W, Sievert W, Rodriguez-Torres M, Shafran SD, Thuluvath PJ, Tatum HA, Waked I, Esmat G, Lawitz EJ, Rustgi VK, Pol S, Weis N, Pockros PJ, Bourlière M, Serfaty L, Vierling JM, Fried MW, Weiland O, Brunetto MR, Everson GT, Zeuzem S, Kwo PY, Sulkowski M, Bräu N, Hernandez D, McPhee F, Wind-Rotolo M, Liu Z, Noviello S, Hughes EA, Yin PD, Schnittman S. Daclatasvir plus peginterferon alfa and ribavirin for treatment-naive chronic hepatitis C genotype 1 or 4 infection: a randomised study. Gut. 2014 Jul 30. pii: gutjnl-2014-307498. doi: 10.1136/gutjnl-2014-307498. [Epub ahead of print] PubMed PMID: 25080450.
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7: Berger C, Romero-Brey I, Radujkovic D, Terreux R, Zayas M, Paul D, Harak C, Hoppe S, Gao M, Penin F, Lohmann V, Bartenschlager R. Daclatasvir-like Inhibitors of NS5A Block Early Biogenesis of HCV-induced Membranous Replication Factories, Independent of RNA Replication. Gastroenterology. 2014 Jul 18. pii: S0016-5085(14)00915-9. doi: 10.1053/j.gastro.2014.07.019. [Epub ahead of print] PubMed PMID: 25046163.
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