Tyrphostin AG 30 , CAS No.122520-79-0

CAS: 122520-79-0 Cat. No.: T337630 Molecular Weight: 205.2 PubChem CID: 5328793

Synonyms

J-004814 | HY-118532 | (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | MFCD00006197 | 2-Propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)-, (E)- | BDBM4352 | 2-propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)-, (2E)- | AKOS000146224 | Tyrphostin AG 3

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

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.

Specifications

Synonyms

J-004814 | HY-118532 | (2E)-2-cyano-3-(3, 4-dihydroxyphenyl)prop-2-enoic acid | MFCD00006197 | 2-Propenoic acid, 2-cyano-3-(3, 4-dihydroxyphenyl)-, (E)- | BDBM4352 | 2-propenoic acid, 2-cyano-3-(3, 4-dihydroxyphenyl)-, (2E)- | AKOS000146224 | Tyrphostin AG 3

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1C=C(C#N)C(=O)O)O)O
• IUPAC Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
• InChIKey: CJMWBHLWSMKFSM-XVNBXDOJSA-N
• 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+
• Isomeric SMILES: C1=CC(=C(C=C1/C=C(\C#N)/C(=O)O)O)O
• PubChem CID: 5328793
• Molecular Weight: 205.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives

• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

COMT Tclin Catechol O-methyltransferase (404 Activities)

Discover Target: COMT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver (3974 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

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