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Tyrphostin AG 1112

CAT: 0931-T24911-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T24911-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
153150-84-6
Target
Casein Kinase, Others, Tyrosinase
Related Pathways
Others, Proteases/Proteasome, Metabolism, Stem Cells
Bioactivity
Tyrphostin AG 1112 is a Bcr-Abl kinase blocker. It can activate the terminal differentiation of K562 cells and the purging of Ph+ cells.
Smiles
C(=C(\C#N)/C=1C(C#N)=C(N)NN1)\C=2C=3C(NC2)=CC=CC3
Molecular Formula
C15H10N6
Molecular Weight
274.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tyrphostin AG 1112

structure given in first source

CAS Number153150-84-6
PubChem CID135402851
IUPAC Name3-amino-5-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile
Molecular FormulaC15H10N6
Molecular Weight274.28
XLogP2.1
Topological Polar Surface Area118
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity523
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=C(\C#N)/C3=C(C(=NN3)N)C#N
InChI
InChI=1S/C15H10N6/c16-6-9(14-12(7-17)15(18)21-20-14)5-10-8-19-13-4-2-1-3-11(10)13/h1-5,8,19H,(H3,18,20,21)/b9-5+
InChIKey
OJMXHLJIMZMFGX-WEVVVXLNSA-N
Chemical Structure
2D Structure
2D structure of Tyrphostin AG 1112
CAS: 153150-84-6
CID: 135402851
Formula: C15H10N6
MW: 274.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.28
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass274.09669434
Monoisotopic Mass274.09669434
Topological Polar Surface Area118 Ų
Heavy Atom Count21
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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