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Chemical structure of Carboxylesterase-IN-3

GC65167

Carboxylesterase-IN-3

Also known as 6-(3,4-dichlorophenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

Carboxylesterase-IN-3 (compound 4y) is a potent inhibitor of Carboxylesterase Notum with an IC50 less than or equal to 10 nM· Notum is a negative regulator of Wnt signaling acting through the hydrolysis of a palmitoleoylate ester, which is required for Wnt activity· Carboxylesterase-IN-3 has the potential for the research of cancer disease

ChemicalCAS2764748-92-5MW313.16FormulaC11H6Cl2N4OS
CAS number
2764748-92-5
Molecular weight
313.16
Formula
C11H6Cl2N4OS
InChIKey
DYBIDXYUMDMCON-UHFFFAOYSA-N
Catalogue number
GC65167
Brand
GLPBIO
Computed properties PubChem CID 162394533 · XLogP 2.9 · TPSA 82.4 Ų · H-bond donors 1
XLogP
2.9
TPSA
82.4 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19

SMILES C1=CC(=C(C=C1SC2=NN3C(=NNC3=O)C=C2)Cl)Cl

Computed descriptors from PubChem (CID 162394533), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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