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Olcegepant

Catalog No.: 185285
Cas No.: 204697-65-4
Purity : >98%
185285 - Olcegepant | CAS 204697-65-4

Catalog number : 185285

CAS number : 204697-65-4

分子式 : C38H47Br2N9O5

分子量 : 869.66

Iupac 化学名称 : N-((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

Smile : O=C(N1CCC(N2C(NC3=C(C=CC=C3)C2)=O)CC1)N[C@H](CC4=CC(Br)=C(O)C(Br)=C4)C(N[C@H](C(N5CCN(C6=CC=NC=C6)CC5)=O)CCCCN)=O

InChiKey : ITIXDWVDFFXNEG-JHOUSYSJSA-N

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同义词N-[2-[5-氨基-1(S)-[4-(4-吡啶基)哌嗪-1-甲酰基]戊基氨基]-1(R)-(3,5-二溴-4-羟基苄基)-2-氧代乙基]-4-(2-氧代-1,2,3,4-四氢喹唑啉-3-基)哌啶-1-甲酰胺
英文同义词BIBN-4096; BIBN4096; BIBN 4096; BIBN-4096BS; BIBN4096BS; BIBN 4096BS; Olcegepant.
分子式C38H47Br2N9O5
分子量869.66
外观类白色至白色固体
纯度>98%
可溶性可溶于DMSO
存储短期可在0-4度保存,数天至数月;长期可在-20度保存三年。
运输条件可在常温下运输
SmileO=C(N1CCC(N2C(NC3=C(C=CC=C3)C2)=O)CC1)N[C@H](CC4=CC(Br)=C(O)C(Br)=C4)C(N[C@H](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
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Olcegepant,又称BIBN-4096或BIBN-4096BS,是降钙素基因相关肽1 (CGRP1)受体的第一个强效和选择性的非肽拮抗剂,是神经源性炎性疼痛的关键调制器。

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