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Chemical structure of GPR81 agonist 1

GC61625

GPR81 agonist 1

Also known as 4-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-thiophen-2-yl-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

GPR81 agonist 1 is a potent and highly selective GPR81 agonist, with EC50s of 58 nM and 50 nM for human and mouse GPR81, respectively

ChemicalCAS1620992-67-7MW446.63FormulaC22H30N4O2S2
CAS number
1620992-67-7
Molecular weight
446.63
Formula
C22H30N4O2S2
Solubility
DMSO ： 50 mg/mL (111·95 mM; Need ultrasonic)
InChIKey
ZLQAEANISSHOLB-UHFFFAOYSA-N
Catalogue number
GC61625
Brand
GLPBIO
Computed properties PubChem CID 86279608 · XLogP 3.4 · TPSA 122 Ų · H-bond donors 1
XLogP
3.4
TPSA
122 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30

SMILES CC1CCC(CC1)C(=O)NC2=NC(=C(S2)CC(=O)N3CCN(CC3)C)C4=CC=CS4

Computed descriptors from PubChem (CID 86279608), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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