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Chemical structure of TNAP-IN-1

GC75272

TNAP-IN-1

Also known as 2,5-dimethoxy-N-quinolin-3-ylbenzenesulfonamide

TNAP-IN-1 (Compound 1) is a selective tissue-nonspecific alkaline phosphatase (TNAP) inhibitor, with an IC50 of 0·19 μM

ChemicalCAS496014-13-2MW344.38FormulaC17H16N2O4S
CAS number
496014-13-2
Molecular weight
344.38
Formula
C17H16N2O4S
Solubility
DMSO： 50 mg/mL (145·19 mM; Need ultrasonic)
InChIKey
JZSPHTPWUXNQGB-UHFFFAOYSA-N
Catalogue number
GC75272
Brand
GLPBIO
Computed properties PubChem CID 2931238 · XLogP 2.7 · TPSA 85.9 Ų · H-bond donors 1
XLogP
2.7
TPSA
85.9 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
24

SMILES COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC3=CC=CC=C3N=C2

Computed descriptors from PubChem (CID 2931238), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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