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Chemical structure of PAC1R antagonist 1

GC69649

PAC1R antagonist 1

Also known as 1-(7-chloro-1H-indazol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

PAC1R antagonist 1 (compound 3d) is an effective and orally active PAC1 receptor antagonist· PAC1R antagonist 1 can inhibit pituitary adenylate cyclase-activating polypeptide (PACAP) and abnormal pain caused by nerve injury

ChemicalCAS2305204-24-2MW372.81FormulaC17H17ClN6O2
CAS number
2305204-24-2
Molecular weight
372.81
Formula
C17H17ClN6O2
Solubility
DMSO ： 33·33 mg/mL (89·40 mM; ultrasonic and warming and heat to 160°C)
InChIKey
MCXQHNLGSHUYBL-UHFFFAOYSA-N
Catalogue number
GC69649
Brand
GLPBIO
Computed properties PubChem CID 142550469 · XLogP 1 · TPSA 107 Ų · H-bond donors 3
XLogP
1
TPSA
107 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26

SMILES C1C(CN(C1=O)C2=NNC3=C2C=CC=C3Cl)C(=O)NCCC4=CN=CN4

Computed descriptors from PubChem (CID 142550469), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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