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Chemical structure of hCA/Wnt/β-catenin-IN-1

GC73573

hCA/Wnt/β-catenin-IN-1

Also known as 4-[3-phenyl-4-(3,4,5-trimethoxybenzoyl)pyrrol-1-yl]benzenesulfonamide

hCA/Wnt/β-catenin-IN-1 (Compd 15) is an inhibitor of hCA (Ki: 33·6, 24·1, 6·8 nM for hCA II, hCA IX, hCA XII)· hCA/Wnt/β-catenin-IN-1 reduces P-gp activity

ChemicalCAS3032826-63-1MW492.54FormulaC26H24N2O6S
CAS number
3032826-63-1
Molecular weight
492.54
Formula
C26H24N2O6S
Solubility
DMSO ： 125 mg/mL (253·79 mM; Need ultrasonic)
InChIKey
XIALBSFHRHQZOE-UHFFFAOYSA-N
Catalogue number
GC73573
Brand
GLPBIO
Computed properties PubChem CID 169450356 · XLogP 3.8 · TPSA 118 Ų · H-bond donors 1
XLogP
3.8
TPSA
118 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
35

SMILES COC1=CC(=CC(=C1OC)OC)C(=O)C2=CN(C=C2C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N

Computed descriptors from PubChem (CID 169450356), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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