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daclatasvir Acetyl impurity

Daclatasvir Acetyl impurity is a synthetic byproduct formed via acetylation of a primary amine in the parent NS5A inhibitor daclatasvir, introducing an acetyl (CH₃COβˆ’) moiety at the 4-position of the piperazine ring. This modification replaces a labile hydrogen with an acetyl group, forming an amide linkage and increasing steric bulk. The compound retains the core benzothiazole and triazole scaffolds of daclatasvir but exhibits altered polarity due to the acetyl substitution. Its structural similarity enables competitive inhibition in HPLC analysis. It serves as an HPLC reference standard for quantifying acetylated impurities in daclatasvir drug substance.

On Request
Molecular Formula C44H54N8O8
Molecular Weight 822.9000
CAS Number 1800502-75-3 βœ“ Verified
PubChem CID 122184707 β†—
Purity N/A
Product Type API Impurity
Parent Drug Daclatasvir
Lead Time On Request
IUPAC Name methyl N-[(2S)-1-[(2S)-2-[1-acetyl-5-[4-[4-[3-acetyl-2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]imidazol-4-yl]phenyl]phenyl]imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

πŸ“ Synonyms

1800502-75-3 N-Acetyl Daclatasvir N-AcetylDaclatasvir CHEMBL3601048 Methyl ((S)-1-((S)-2-(1-acetyl-5-(4'-(1-acetyl-2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate

πŸ”¬ Chemical Identifiers

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2C(=O)C)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5C(=O)C)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC
InChI=1S/C44H54N8O8/c1-25(2)37(47-43(57)59-7)41(55)49-21-9-11-33(49)39-45-23-35(51(39)27(5)53)31-17-13-29(14-18-31)30-15-19-32(20-16-30)36-24-46-40(52(36)28(6)54)34-12-10-22-50(34)42(56)38(26(3)4)48-44(58)60-8/h13-20,23-26,33-34,37-38H,9-12,21-22H2,1-8H3,(H,47,57)(H,48,58)/t33-,34-,37-,38-/m0/s1
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