产品名称

英文名称：Olcegepant

同义词

Olcegepant 、 BIBN 4096 、 BIBN 4096 BS 、 1-[3,5-Dibromo-N-[[4-(1,4-dihydro-2-oxo-3(2H)-quinazolinyl)-1-piperidinyl]carbonyl]-D-tyrosyl-L-lysyl]-4-(4-pyridinyl)-piperazine 、 [R-(R*,S*)]-N-[2-[ [5-Amino-1-[[4-(4-pyridinyl)-1-piperazinyl]carbonyl]pentyl]amino

产品性质

CAS编号：204697-65-4

分子式：C38H47Br2N9O5

分子量：869.66

PubChem编号：6918509

英文别名：Olcegepant | BIBN 4096 | BIBN 4096 BS | 1-[3,5-Dibromo-N-[[4-(1,4-dihydro-2-oxo-3(2H)-quinazolinyl)-1-piperidinyl]carbonyl]-D-tyrosyl-L-lysyl]-4-(4-pyridinyl)-piperazine | [R-(R*,S*)]-N-[2-[ [5-Amino-1-[[4-(4-pyridinyl)-1-piperazinyl]carbonyl]pentyl]amino

规格或纯度：≥98%

英文名称：Olcegepant

生化机理：Olcegepant(BIBN-4096; BIBN-4096BS) inhibits the release and action of Calcitonin Gene-Related Peptide (CGRP).Olcegepant is useful for treatment of acute attacks of migraine. Olcegepant exhibiting a favorable biological profile was selected for initial clinical trials. A proof of concept study indicated that intravenous application of 19 was effective in the treatment of acute migraine headache.Potent (IC 50 = 0.03 nM (human) and 6.4 nM (rat)) and selective CGRP-1 receptor antagonist. No significant activity observed against a panel of 75 other receptors. Potently inhibits neurogenic vasodilation.

储存温度：-20°C储存

运输条件：超低温冰袋运输

产品介绍：Olcegepant(BIBN 4096; BIBN 4096BS)是非肽类CGRP1受体选择性拮抗剂，IC50为 0.03 nM。Olcegepant(BIBN 4096; BIBN 4096BS) is the first potent and selective non-peptide antagonist of the calcitonin gene-related peptide 1 (CGRP1) receptor(IC50= 0.03 nM).

ALogP：3.1

IUPAC Name：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

INCHI：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,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1

InChi Key：ITIXDWVDFFXNEG-JHOUSYSJSA-N

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

Isomeric SMILES：C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)N[C@H](CC4=CC(=C(C(=C4)Br)O)Br)C(=O)N[C@@H](CCCCN)C(=O)N5CCN(CC5)C6=CC=NC=C6

PubChem CID：6918509

BindingDB Ligand：50184069

ChEMBL Ligand：CHEMBL207197

Wikipedia：Olcegepant

DrugBank Ligand：DB04869

CAS Registry No.：204697-65-4

RCSB PDB Ligand：3N6

溶解性：DMSO

产品包装