Description
Key facts
CAS number:204697-65-4,
Form:SolidSee storage information,
Molecular weight:869.6 Da,
Molecular formula:C38H47Br2N9O5,
PubChem:6918509,
Nature:Synthetic,
Solubility:Soluble to 50 mM in DMSO,
Biochemical name:Olcegepant,
Biological description:Potent (IC50 = 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.,
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,
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,
InChiKey:ITIXDWVDFFXNEG-JHOUSYSJSA-N,
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
Properties and Storage Information:
Shipped at conditions-Ambient - Can Ship with Ice, Appropriate short-term storage conditions--20°C, Appropriate long-term storage conditions--20°C
