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Tyrphostin AG 30 , CAS No.122520-79-0
Basic Description
Synonyms
J-004814 | HY-118532 | (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | MFCD00006197 | CS-0066283 | 2-Propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)-, (E)- | BDBM4352 | 2-propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)-, (2E)- | AKOS000146224 | Ty
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Tyrphostin AG 30 is a potent protein tyrosine kinase (PTK) inhibitor specific for c-ErbB. the compound has been shown to inhibit activation of STAT5 by c-erbB in primary erythroblasts. The compound has been observed to cause induction of the differentiated phenotype in colon cancer cells which is associated with a marked decrease in PTK activity and tyrosine phosphorylation. Unlike other Tyrphostins, Tyrphostin AG 30 was unable to regulate expression of NO-dependent genes in U-937 monocytic cells.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxycinnamic acids
Alternative Parents
Coumaric acids and derivatives Cinnamic acids Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid - Coumaric acid or derivatives - Hydroxycinnamic acid - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxycinnamic acids. These are compounds containing an cinnamic acid where the benzene ring is hydroxylated.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
INCHI
InChI=1S/C10H7NO4/c11-5-7(10(14)15)3-6-1-2-8(12)9(13)4-6/h1-4,12-13H,(H,14,15)/b7-3+
InChIKey
CJMWBHLWSMKFSM-XVNBXDOJSA-N
Smiles
C1=CC(=C(C=C1C=C(C#N)C(=O)O)O)O
Isomeric SMILES
C1=CC(=C(C=C1/C=C(\C#N)/C(=O)O)O)O
PubChem CID
5328793
Molecular Weight
205.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO (10mg/ml)
Molecular Weight
205.170 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
205.038 Da
Monoisotopic Mass
205.038 Da
Topological Polar Surface Area
102.000 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
328.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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