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Monodes(N-carboxymethyl)valine Daclatasvir

Monodes(N-carboxymethyl)valine Daclatasvir is a structurally modified derivative of daclatasvir, featuring a monodesmethyl substitution at the N-carboxymethyl valine side chain. This impurity retains the core scaffold of the parent drug but incorporates an additional carboxymethyl group, altering its hydrogen bonding capacity and hydrophobic interactions. The compound contains amide, ester, and tertiary amine functional groups, critical for its interaction with NS5A viral proteins. Synthetically, it arises from partial demethylation during API synthesis. This compound serves as an HPLC reference standard for quantifying process-related impurities in daclatasvir drug substance.

On Request
Molecular Formula C33H39N7O3
Molecular Weight 581.7000
CAS Number 1007884-60-7 โœ“ Verified
PubChem CID 59668805 โ†—
Purity N/A
Product Type API Impurity
Parent Drug Daclatasvir
Lead Time On Request
IUPAC Name methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

๐Ÿ“ Synonyms

Monodes(N-carboxymethyl)valine Daclatasvir 1007884-60-7 methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate Daclatasvir Impurity A (TFA) Daclatasvir Impurity 22 Daclatasvir Impurity 40 Daclatasvir Impurity 53 RMT4Q5CL79 orb1692469 SCHEMBL10117324

๐Ÿ”ฌ Chemical Identifiers

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6)NC(=O)OC
InChI=1S/C33H39N7O3/c1-20(2)29(39-33(42)43-3)32(41)40-17-5-7-28(40)31-36-19-27(38-31)24-14-10-22(11-15-24)21-8-12-23(13-9-21)26-18-35-30(37-26)25-6-4-16-34-25/h8-15,18-20,25,28-29,34H,4-7,16-17H2,1-3H3,(H,35,37)(H,36,38)(H,39,42)/t25-,28-,29-/m0/s1
BHLPGQSNBFUPQA-FMYROPPKSA-N

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