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Chemical structure of TRPM8 antagonist 3

GC64086

TRPM8 antagonist 3

Also known as [4-hydroxy-2-(2-hydroxyphenyl)-1,3-thiazol-5-yl]-(1,2-oxazolidin-2-yl)methanone

TRPM8 antagonist 3 is a novel TRPM8 blocker with an IC50 value of 11 nM

ChemicalCAS2102179-29-1MW292.31FormulaC13H12N2O4S
CAS number
2102179-29-1
Molecular weight
292.31
Formula
C13H12N2O4S
Solubility
DMSO ： 25 mg/mL (85·53 mM; Need ultrasonic)
InChIKey
BKUQCBLRBYEPFS-UHFFFAOYSA-N
Catalogue number
GC64086
Brand
GLPBIO
Computed properties PubChem CID 137199889 · XLogP 2.8 · TPSA 111 Ų · H-bond donors 2
XLogP
2.8
TPSA
111 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
20

SMILES C1CN(OC1)C(=O)C2=C(N=C(S2)C3=CC=CC=C3O)O

Computed descriptors from PubChem (CID 137199889), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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