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AG 490

CAT: 0926-FC17241Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FC17241Size:50 mg
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CAS Number
134036-52-5
Synonyms
2-Cyano-3- (3,4-dihydroxyphenyl) -N- (phenylmethyl) -2-propenamide; Tyrphostin B 42
MDL Number
MFCD00943817
Smiles
C1=CC=C (C=C1) CNC (=O) /C (=C/C2=CC (=C (C=C2) O) O) /C#N
Molecular Formula
C17H14N2O3
Molecular Weight
294.3 g/mol
Controlled
No

Chemical Information

AG-490

Tyrphostin B42 is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic acid with the amino group of benzylamine. It has a role as a geroprotector, an antioxidant, an anti-inflammatory agent, an apoptosis inducer, an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor and a STAT3 inhibitor. It is a secondary carboxamide, a nitrile, a monocarboxylic acid amide, a member of catechols and an enamide.

CAS Number134036-52-5
PubChem CID5328779
IUPAC Name(E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide
Molecular FormulaC17H14N2O3
Molecular Weight294.30
XLogP2.4
Topological Polar Surface Area93.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity460
SMILES
C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N
InChI
InChI=1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)/b14-8+
InChIKey
TUCIOBMMDDOEMM-RIYZIHGNSA-N
Chemical Structure
2D Structure
2D structure of AG-490
CAS: 134036-52-5
CID: 5328779
Formula: C17H14N2O3
MW: 294.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.30
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass294.10044231
Monoisotopic Mass294.10044231
Topological Polar Surface Area93.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity460
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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