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Chemical structure of hCAII-IN-8

GC69209

hCAII-IN-8

Also known as 3,4-dimethoxy-N-(3-sulfamoylphenyl)benzamide

hCAII-IN-8 is an amide and a highly selective inhibitor of carbonic anhydrase (CA), with an IC50 value of 0·18 μM against hCA II

ChemicalCAS952306-80-8MW336.36FormulaC15H16N2O5S
CAS number
952306-80-8
Molecular weight
336.36
Formula
C15H16N2O5S
Solubility
DMSO ： 125 mg/mL (371·63 mM; Need ultrasonic)
InChIKey
NXXHQVMWOQRKGC-UHFFFAOYSA-N
Catalogue number
GC69209
Brand
GLPBIO
Computed properties PubChem CID 24855629 · XLogP 1.3 · TPSA 116 Ų · H-bond donors 2
XLogP
1.3
TPSA
116 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
23

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

Computed descriptors from PubChem (CID 24855629), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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