NC1 - Moligand™ , Inhibitor of protein tyrosine phosphatase non-receptor type 1;Inhibitor of protein tyrosine phosphatase non-receptor type 22, CAS No.N612183, Inhibitor of protein tyrosine phosphatase non-receptor type 1;Inhibitor of protein tyrosine phosphatase non-receptor type 22

CAS: N612183 Cat. No.: N612183 PubChem CID: 6534740

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of protein tyrosine phosphatase non-receptor type 1;Inhibitor of protein tyrosine phosphatase non-receptor type 22

Nomes e identificadores

• Sorrisos canónicos: CCOC(=O)c1ccc(cc1)N=C1S/C(=C\c2ccc(c(c2)OC)OCc2ccc(cc2)C(=O)O)/C(=O)N1C
• IUPAC Name: 4-[[4-[(Z)-[2-(4-ethoxycarbonylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid
• InChIKey: MEYCXOYFLJPZOT-FXALAWDZSA-N
• INCHI: 1S/C29H26N2O7S/c1-4-37-28(35)21-10-12-22(13-11-21)30-29-31(2)26(32)25(39-29)16-19-7-14-23(24(15-19)36-3)38-17-18-5-8-20(9-6-18)27(33)34/h5-16H,4,17H2,1-3H3,(H,33,34)/b25-16-,30-29?
• SMILES isoméricas: CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)/C(=C/C3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)OC)/S2)C
• PubChem CID: 6534740

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoic acids Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Thiazolidines Isothioureas Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzoate ester - Benzoic acid - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Thiazolidine - Carboxylic acid ester - Isothiourea - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Carboxylic acid - Azacycle - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

Alvos associados (humanos)

PTPN1 Tchem Tyrosine-protein phosphatase non-receptor type 1 (0 Activities)

Discover Target: PTPN1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PTPN22 Tchem Tyrosine-protein phosphatase non-receptor type 22 (0 Activities)

Discover Target: PTPN22

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)