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TWS119

CAT: 0957-S1590-02Size: 10 mm/ 1 mLDry Ice: YesHazardous: No
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CAT#:0957-S1590-02Size:10 mm/ 1 mL
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Description
TWS119 is a GSK-3β inhibitor with IC50 of 30 nM in a cell-free assay; capable of inducing neuronal differentiation and may be useful to stem cell biology. GSK-3β inhibition triggers autophagy.
CAS Number
601514-19-6
Target
GSK-3
Activity
PI3K/Akt/mTOR
Molecular Formula
C18H14N4O2
Storage Conditions
2 years -80 in solvent

Chemical Information

Tws119

3-[[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol is a member of pyrroles.

CAS Number601514-19-6
PubChem CID9549289
IUPAC Name3-[[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol
Molecular FormulaC18H14N4O2
Molecular Weight318.3
XLogP3.2
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity424
SMILES
C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O
InChI
InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)
InChIKey
VPVLEBIVXZSOMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tws119
CAS: 601514-19-6
CID: 9549289
Formula: C18H14N4O2
MW: 318.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight318.3
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass318.11167570
Monoisotopic Mass318.11167570
Topological Polar Surface Area97.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity424
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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