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Olcegepant Catalog No : 185285

Chemical Information

Product NameOlcegepant
Iupac Chemical NameN-((1R)-2-(((1S)-5-Amino-1-((4-(pyridin-4-yl)piperazin-1-yl)carbonyl)pentyl)amino)-1-(3,5-dibromo-4-hydroxybenzyl)-2-oxoethyl)-4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidine-1-carboxamide
SynonymsBIBN-4096; BIBN4096; BIBN 4096; BIBN-4096BS; BIBN4096BS; BIBN 4096BS; Olcegepant.
Molecular FormulaC38H47Br2N9O5
Molecular Weight869.66
SmileO=C(N1CCC(N2C(NC3=C(C=CC=C3)C2)=O)CC1)N[[email protected]](CC4=CC(Br)=C(O)C(Br)=C4)C(N[[email protected]](C(N5CCN(C6=CC=NC=C6)CC5)=O)CCCCN)=O
InChiKeyITIXDWVDFFXNEG-JHOUSYSJSA-N
InChiInChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
Cas204697-65-4

Technical Data

AppearanceOff-white solid to white solid
Purity>98%
SolubilitySoluble in DMSO
StorageDry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Shipping ConditionShipped under ambient temperature
Quality control

Description

Olcegepant, also known as BIBN-4096 or BIBN-4096BS is is the first potent and selective non-peptide antagonist of the calcitonin gene-related peptide 1 (CGRP1) receptor, a key modulator in neurogenic inflammatory pain.

Chemical Structure

185285 - Olcegepant | CAS 204697-65-4

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