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Chemical structure of TRPV4 agonist-1 free base

GC63244

TRPV4 agonist-1 free base

Also known as 8-fluoro-3-[4-(4-fluorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-one

TRPV4 agonist-1 free base is a transient receptor potential vanilloid 4 (TRPV4) agonist with an EC50 of 60 nM in the hTRPV4 Ca2+ assay

ChemicalCAS2314467-59-7MW448.46FormulaC25H22F2N4O2
CAS number
2314467-59-7
Molecular weight
448.46
Formula
C25H22F2N4O2
Solubility
DMSO : 83·33 mg/mL (185·81 mM; Need ultrasonic)
InChIKey
NUGPMKZYSBKNPU-UHFFFAOYSA-N
Catalogue number
GC63244
Brand
GLPBIO
Computed properties PubChem CID 137628676 · XLogP 4 · TPSA 48.4 Ų · H-bond donors 0
XLogP
4
TPSA
48.4 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
33

SMILES CN1CCN(CC1)C2=NC3=C(C=CC=C3F)C(=O)N2C4=CC=C(C=C4)OC5=CC=C(C=C5)F

Computed descriptors from PubChem (CID 137628676), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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