ABC00302UZ

Bromobutene linagliptin impurity VII

Bromobutene linagliptin impurity VII is a synthetic byproduct arising from the bromination of a butene moiety during linagliptin API synthesis. It features a brominated conjugated butene backbone linked to a substituted pyrazine-triazole heterocyclic core, with an N-acylated sulfonamide side chain. The compound retains key pharmacophoric elements of linagliptin but incorporates a bromide substituent at the ฮฒ-position of the butenyl bridge, inducing steric and electronic deviations from the parent drug. This impurity serves as an HPLC reference standard for quantifying process-related deviations in linagliptin manufacturing.

On Request
Molecular Formula C25H29BrN8O2
Molecular Weight 553.5000
CAS Number 1446263-39-3 โœ“ Verified
PubChem CID 78358437 โ†—
Purity N/A
Product Type API Impurity
Parent Drug Bromobutene
Lead Time On Request
IUPAC Name 8-[(3R)-3-aminopiperidin-1-yl]-7-[(E)-3-bromobut-2-enyl]-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione

๐Ÿ“ Synonyms

1446263-39-3 (R,E)-8-(3-aminopiperidin-1-yl)-7-(3-bromobut-2-en-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione 1H-Purine-2,6-dione, 8-[(3R)-3-amino-1-piperidinyl]-7-[(2E)-3-bromo-2-buten-1-yl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]- (R,Z)-8-(3-Aminopiperidin-1-yl)-7-(3-bromobut-2-en-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione N-Des-(2-butyn-1-yl)-N-(3-bromo-2-buten-1-yl) Linagliptin (E/Z Mixture) YAV7RQ75Z2 SCHEMBL15083817 8-[(3R)-3-Amino-1-piperidinyl]-7-[(2Z)-3-bromo-2-buten-1-yl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione CS-M2711 D77481

๐Ÿ”ฌ Chemical Identifiers

CC1=NC(=NC2=CC=CC=C12)CN3C(=O)C4=C(N=C(N4C/C=C(\C)/Br)N5CCC[C@H](C5)N)N(C3=O)C
InChI=1S/C25H29BrN8O2/c1-15(26)10-12-33-21-22(30-24(33)32-11-6-7-17(27)13-32)31(3)25(36)34(23(21)35)14-20-28-16(2)18-8-4-5-9-19(18)29-20/h4-5,8-10,17H,6-7,11-14,27H2,1-3H3/b15-10+/t17-/m1/s1
KOVUTSTYXMWMHQ-IUYQLWOBSA-N

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