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Wnt pathway inhibitor 3

CAT: 0013-GTR19213606-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19213606-01Size:10 mg
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Description
Wnt pathway inhibitor 3 is a potent and selective AC1 inhibitor (IC50 = 45 nM) with demonstrated antiproliferative effects. It has been utilized in both in vitro mechanistic studies and in vivo research, such as in mouse models of experimental osteoarthritis, to investigate potential therapeutic applications for ameliorating the disease.
CAS Number
663213-98-7
Product Name Alternative
Bcatenin, Adenylylcyclase, Adenylyl cyclase, adenylyl cyclase 1 (AC1), betacatenin, beta-catenin, βcatenin, Wnt, Wnt/b-catenin, Wnt pathway inhibitor 3, Wnt/β-catenin, Wnt/betacatenin, Wntpathwayinhibitor3
Field of Research
Pharmacology & Drug Discovery, Signal Transduction, Stem Cell & Developmental Biology, Stem Cell & Developmental Biology; Pharmacology & Drug Discovery
Purity
99.69% (May vary between batches)
Solubility
DMSO:60 mg/mL (131.21 mM)
Smiles
C (#N) C=1C (C2=C (C=C3C (=C2) OCO3) OC1N) C4=CC (OC) =C (OCC=C) C (Br) =C4
Molecular Formula
C21H17BrN2O5
Molecular Weight
457.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-(4-(Allyloxy)-3-bromo-5-methoxyphenyl)-6-amino-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CAS Number663213-98-7
PubChem CID3260543
IUPAC Name6-amino-8-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
Molecular FormulaC21H17BrN2O5
Molecular Weight457.3
XLogP4.4
Topological Polar Surface Area96
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity706
SMILES
COC1=C(C(=CC(=C1)C2C3=CC4=C(C=C3OC(=C2C#N)N)OCO4)Br)OCC=C
InChI
InChI=1S/C21H17BrN2O5/c1-3-4-26-20-14(22)5-11(6-18(20)25-2)19-12-7-16-17(28-10-27-16)8-15(12)29-21(24)13(19)9-23/h3,5-8,19H,1,4,10,24H2,2H3
InChIKey
OUSQIRTYEYYEHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(4-(Allyloxy)-3-bromo-5-methoxyphenyl)-6-amino-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CAS: 663213-98-7
CID: 3260543
Formula: C21H17BrN2O5
MW: 457.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.3
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass456.03208
Monoisotopic Mass456.03208
Topological Polar Surface Area96 Ų
Heavy Atom Count29
Formal Charge0
Complexity706
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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