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Chemical structure of hCAIX-IN-18

GC73227

hCAIX-IN-18

Also known as 4-[4-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]piperazin-1-yl]benzenesulfonamide

hCAIX-IN-18 (compound 30) is an inhibitor of carbonic andrase (CA), with Kis of 3·5 nM, 9·4 nM, 43·0 nM and 8·2 nM for hCAI, hCAII, hCAIX, hCAXII, respectively

ChemicalCAS2925261-76-1MW394.88FormulaC17H19ClN4O3S
CAS number
2925261-76-1
Molecular weight
394.88
Formula
C17H19ClN4O3S
Solubility
DMSO : 50 mg/mL (126·62 mM; ultrasonic and warming and heat to 80°C)
InChIKey
WOCYSDBHUJLEPT-LVZFUZTISA-N
Catalogue number
GC73227
Brand
GLPBIO
Computed properties PubChem CID 171356273 · XLogP 2.4 · TPSA 108 Ų · H-bond donors 2
XLogP
2.4
TPSA
108 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
26

SMILES C1CN(CCN1C2=CC=C(C=C2)S(=O)(=O)N)/C(=N/O)/C3=CC=C(C=C3)Cl

Computed descriptors from PubChem (CID 171356273), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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