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Chemical structure of DPTN dihydrochloride

GC71222

DPTN dihydrochloride

Also known as N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]pyridine-3-carboxamide;dihydrochloride

DPTN is a potent and selective human, mouse, and rat A3AR antagonist with Ki values of 1·65, 9·61, and 8·53nM, respectively

ChemicalCAS325767-87-1MW459.39FormulaC22H20Cl2N4OS
CAS number
325767-87-1
Molecular weight
459.39
Formula
C22H20Cl2N4OS
Solubility
DMSO ： 5 mg/mL (10·88 mM; ultrasonic and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
GTWKWBXTCBUKTR-UHFFFAOYSA-N
Catalogue number
GC71222
Brand
GLPBIO
Computed properties PubChem CID 168301117 · TPSA 96 Ų · H-bond donors 3 · H-bond acceptors 5
TPSA
96 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30

SMILES CC1=CC(=CC(=C1)C2=C(SC(=N2)NC(=O)C3=CN=CC=C3)C4=CC=NC=C4)C.Cl.Cl

Computed descriptors from PubChem (CID 168301117), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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