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Carboxylesterase-IN-2

CAT: 0013-GTR19213590-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19213590-01Size:1 mg
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Description
Carboxylesterase-IN-2 is a potent and selective Notum carboxylesterase inhibitor with an IC50 of ≤10 nM. This compound is a valuable research tool for investigating the role of Notum in Wnt signaling pathways, with applications in cancer-related in vitro and in vivo studies.
CAS Number
2764748-88-9
Product Name Alternative
Carboxylesterase, Carboxylesterase-IN-2, betacatenin, beta-catenin, 1,2,4Triazolo[4,3b]pyridazin3 (2H) one,6[ (3,4dimethylphenyl) thio], bcatenin, Wnt, Wnt/b-catenin, Wnt/betacatenin, Wnt/β-catenin, βcatenin
Field of Research
Metabolism Research, Signal Transduction, Stem Cell & Developmental Biology
Purity
99.49% (May vary between batches)
Solubility
DMSO:70 mg/mL (257.04 mM)
Smiles
O=C1N2C (C=CC (SC3=CC (C) =C (C) C=C3) =N2) =NN1
Molecular Formula
C13H12N4OS
Molecular Weight
272.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Carboxylesterase-IN-2
CAS Number2764748-88-9
PubChem CID163196272
IUPAC Name6-(3,4-dimethylphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Molecular FormulaC13H12N4OS
Molecular Weight272.33
XLogP2.3
Topological Polar Surface Area82.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity485
SMILES
CC1=C(C=C(C=C1)SC2=NN3C(=NNC3=O)C=C2)C
InChI
InChI=1S/C13H12N4OS/c1-8-3-4-10(7-9(8)2)19-12-6-5-11-14-15-13(18)17(11)16-12/h3-7H,1-2H3,(H,15,18)
InChIKey
ZODAMEZBCMGEGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carboxylesterase-IN-2
CAS: 2764748-88-9
CID: 163196272
Formula: C13H12N4OS
MW: 272.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.33
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass272.07318219
Monoisotopic Mass272.07318219
Topological Polar Surface Area82.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity485
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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