BGC > Product Search > BIBN 4096BS | 204697-65-4

Molecular Formula: C38H47Br2N9O5
Molecular Weight: 869.64508

Molecular Formula: C38H47Br2N9O5
Molecular Weight: 869.65

Molecular Formula: C38H47Br2N9O5
Molecular Weight: 869.65

Description :
Olcegepant, also called as BIBN4096BS or BIBN 4096, is the first potent and selective non-peptide antagonist of the calcitonin gene-related peptide 1 (CGRP1) receptor(IC50= 0.03 nM) and has been shown to block all effects of infused CGRP (2) and should ef

• Molecular Weight :869.65
• Boiling Point :1091.9±65.0 °C | Condition: Press: 760 Torr

Molecular Formula :
C38H47Br2N9O5
Canonical SMILES :
C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)NC(CC4=CC(=C(C(=C4)Br)O)Br)C(=O)NC(CCCCN)C(=O)N5CCN(CC5)C6=CC=NC=C6
InChI :
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
InChIKey :
ITIXDWVDFFXNEG-JHOUSYSJSA-N
Solubility :
Soluble to ≥ 50 mg/mL in DMSO
Appearance :
Solid powder
Storage : Store in a cool and dry place and at 0 - 4℃ for short term (days to weeks) or -52℃ for long term (months to years).
Synonyms :
BIBN-4096; BIBN4096; BIBN 4096; BIBN-4096BS; BIBN4096BS; BIBN 4096BS; Olcegepant; N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide; Olcegepant; Olcegepant [INN]; BIBN-4096BS; BIBN 4096 BS; BIBN4096BS; CHEMBL2071; CHEMBL 2071; CHEMBL-2071

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