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Chemical structure of TM-N1324

GC31074

TM-N1324

Also known as 4-(2-chloro-4-fluorophenyl)-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

TM-N1324 is an agonist of G-Protein-Coupled Receptor 39 (GPR39) with EC50s of 9 nM/5 nM in the presence of Zn2+, and 280 nM/180 nM in the absence of Zn2+ for human/murine GPR39

ChemicalCAS1144477-35-9MW397.79FormulaC18H13ClFN7O
CAS number
1144477-35-9
Molecular weight
397.79
Formula
C18H13ClFN7O
Solubility
DMSO ： 6 mg/mL (15·08 mM)
InChIKey
CYQNVXRIWKKWQG-UHFFFAOYSA-N
Catalogue number
GC31074
Brand
GLPBIO
Computed properties PubChem CID 135634901 · XLogP 2.5 · TPSA 101 Ų · H-bond donors 2
XLogP
2.5
TPSA
101 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
28

SMILES CC1=NN(C2=C1C(CC(=O)N2)C3=C(C=C(C=C3)F)Cl)C4=NC=NC5=C4NC=N5

Computed descriptors from PubChem (CID 135634901), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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