TPI-1 - 10mM in DMSO , CAS No.79756-69-7

CAS: 79756-69-7 Cat. No.: T426054 Formule: C₁₂H₆Cl₂O₂ Poids moléculaire: 253.08 Numéro CE: 830-085-7 PubChem CID: 948589

GRADE & PURITY 10mM in DMSO

Synonyms

C76549 | 2-(2,5-dichlorophenyl)-2,5-cyclohexadiene-1,4-dione | BCP28977 | BIM-0041949.P001 | 2,5-Cyclohexadiene-1,4-dione, 2-(2,5-dichlorophenyl)- | 2',5'-Dichloro-[1,1'-biphenyl]-2,5-dione | HY-100463 | TPI 1 | S6570 | SCHEMBL8678070 | TPI 1; TPI1; Tyros

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Information

TPI-1 TPI-1 (Tyrosine Phosphatase Inhibitor 1) is a potent inhibitor of SHP-1 with IC50 of 40 nM for recombinant SHP-1. TPI-1 exhibits anticancer activity.

Targets

SHP-1 (Cell-free assay) 40 nM

Specifications

Synonymes

C76549 | 2-(2,5-dichlorophenyl)-2,5-cyclohexadiene-1,4-dione | BCP28977 | BIM-0041949.P001 | 2,5-Cyclohexadiene-1,4-dione, 2-(2,5-dichlorophenyl)- | 2',5'-Dichloro-[1,1'-biphenyl]-2,5-dione | HY-100463 | TPI 1 | S6570 | SCHEMBL8678070 | TPI 1; TPI1; Tyros

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

TPI-1 (Tyrosine Phosphatase Inhibitor 1) is a potent inhibitor of SHP-1 with IC50 of 40 nM for recombinant SHP-1. TPI-1 exhibits anticancer activity.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Pubchem Sid

528767431

Sourires canoniques

C1=CC(=C(C=C1Cl)C2=CC(=O)C=CC2=O)Cl

IUPAC Name

2-(2,5-dichlorophenyl)cyclohexa-2,5-diene-1,4-dione

InChIKey

ZKHFYORNAYYOTM-UHFFFAOYSA-N

INCHI

1S/C12H6Cl2O2/c13-7-1-3-11(14)9(5-7)10-6-8(15)2-4-12(10)16/h1-6H

Isomères SMILES

C1=CC(=C(C=C1Cl)C2=CC(=O)C=CC2=O)Cl

PubChem CID

948589

Poids moléculaire

253.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: P-benzoquinones Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Quinone - P-benzoquinone - 1,4-dichlorobenzene - Aryl halide - Aryl chloride - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Propriétés chimiques et physiques

• Point de fusion (°C): 117 - 118 °C
• Poids moléculaire: 253.080 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 251.974 Da
• Monoisotopic Mass: 251.974 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 384.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1