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MW 869.6 Da. 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.

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Images

Chemical Structure - Olcegepant, CGRP antagonist (AB269696), expandable thumbnail

Key facts

CAS number
204697-65-4
Form
Solid
Molecular weight
869.6 Da
Molecular formula
C38H47Br2N9O5
PubChem identifier
6918509
Nature
Synthetic

Target data

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MW 869.6 Da. 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.

Key facts

PubChem identifier
6918509
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

Storage

Shipped at conditions
Ambient - Can Ship with Ice
Appropriate short-term storage conditions
-20°C
Appropriate long-term storage conditions
-20°C

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1 product image

  • Chemical Structure - Olcegepant, CGRP antagonist (ab269696), expandable thumbnail

    Chemical Structure - Olcegepant, CGRP antagonist (ab269696)

    Chemical structure of Olcegepant, CGRP antagonist, 204697-65-4

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Product protocols

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