Products for Research Use Only

Vazegepant hydrochloride

CAT: 0013-GTR19165953-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165953-01Size:1 mg
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Description
Vazegepant hydrochloride is a novel intranasal CGRP receptor antagonist for the acute treatment of migraine, supported by positive Phase II/III clinical data. It is utilized in preclinical research to investigate CGRP-mediated pathways in both in vitro binding assays and in vivo models of migraine and pain.
CAS Number
1414976-20-7
Product Name Alternative
CGRP Receptor, CGRP, CGRPReceptor, COVID-19, BHV 3500, BHV3500, BHV-3500, Calcitonin gene-related peptide receptor, Inhibitor, gepant, inflammation, intranasal, inhibit, migraine, receptor, Zavegepant, soluble, Vazegepant, Vazegepant HCl, Vazegepant hydrochloride, Vazegepant Hydrochloride
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.93% (May vary between batches)
Solubility
DMSO:30 mg/mL (44.42 mM)
Smiles
Cl.CN1CCC (CC1) N1CCN (CC1) C (=O) [C@@H] (Cc1cc (C) c2[nH]ncc2c1) NC (=O) N1CCC (CC1) c1cc2ccccc2[nH]c1=O
Molecular Formula
C36H47ClN8O3
Molecular Weight
675.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Zavegepant hydrochloride

Zavegepant hydrochloride is the hydrochloride salt of zavegepant. It is a calcitonin gene-related peptide receptor antagonist administered as a nasal spray for the acute treatment of migraine with or without aura in adults. It has a role as a calcitonin gene-related peptide receptor antagonist. It contains a zavegepant(1+).

CAS Number1414976-20-7
PubChem CID134819878
IUPAC NameN-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide;hydrochloride
Molecular FormulaC36H47ClN8O3
Molecular Weight675.3
Topological Polar Surface Area117
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count48
Formal Charge0
Complexity1160
SMILES
CC1=CC(=CC2=C1NN=C2)C[C@H](C(=O)N3CCN(CC3)C4CCN(CC4)C)NC(=O)N5CCC(CC5)C6=CC7=CC=CC=C7NC6=O.Cl
InChI
InChI=1S/C36H46N8O3.ClH/c1-24-19-25(20-28-23-37-40-33(24)28)21-32(35(46)43-17-15-42(16-18-43)29-9-11-41(2)12-10-29)39-36(47)44-13-7-26(8-14-44)30-22-27-5-3-4-6-31(27)38-34(30)45;/h3-6,19-20,22-23,26,29,32H,7-18,21H2,1-2H3,(H,37,40)(H,38,45)(H,39,47);1H/t32-;/m1./s1
InChIKey
VQDUWCSSPSOSNA-RYWNGCACSA-N
Chemical Structure
2D Structure
2D structure of Zavegepant hydrochloride
CAS: 1414976-20-7
CID: 134819878
Formula: C36H47ClN8O3
MW: 675.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight675.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass674.3459651
Monoisotopic Mass674.3459651
Topological Polar Surface Area117 Ų
Heavy Atom Count48
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes