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3F8

CAT: 0804-HY-107530-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107530-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3F8 is a potent and selective GSK-3β inhibitor that could be useful as new reagent and potential therapeutic candidate for GSK3 related diseases[1].
CAS Number
159109-11-2
UNSPSC
12352005
Hazard Statement
H302
Target
GSK-3
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR; Stem Cell/Wnt
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Cancer; Metabolic Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/3f8.html
Solubility
10 mM in DMSO
Smiles
O=C(N1)C2=C3C(C=C(OC)C(OC)=C3)=C(CC)N=C2C1=O
Molecular Formula
C15H14N2O4
Molecular Weight
286.28
Precautions
P264-P270-P330-P501
References & Citations
[1]Zhong H, et al. Characterization and development of novel small-molecules inhibiting GSK3 and activating Wnt signaling. Mol Biosyst. 2009 Nov;5 (11) :1356-60.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

5-Ethyl-7,8-dimethoxy-1H-pyrrolo[3,4-c]isoquinoline-1,3(2H)-dione
CAS Number159109-11-2
PubChem CID23829003
IUPAC Name5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione
Molecular FormulaC15H14N2O4
Molecular Weight286.28
XLogP2
Topological Polar Surface Area77.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity441
SMILES
CCC1=NC2=C(C3=CC(=C(C=C31)OC)OC)C(=O)NC2=O
InChI
InChI=1S/C15H14N2O4/c1-4-9-7-5-10(20-2)11(21-3)6-8(7)12-13(16-9)15(19)17-14(12)18/h5-6H,4H2,1-3H3,(H,17,18,19)
InChIKey
ULVWJFBHQIXEPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Ethyl-7,8-dimethoxy-1H-pyrrolo[3,4-c]isoquinoline-1,3(2H)-dione
CAS: 159109-11-2
CID: 23829003
Formula: C15H14N2O4
MW: 286.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.28
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass286.09535693
Monoisotopic Mass286.09535693
Topological Polar Surface Area77.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity441
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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