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

CAS: 79756-69-7 Cat. No.: T426054 Summenformel: C₁₂H₆Cl₂O₂ Molekulargewicht: 253.08 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

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.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Pubchem Sid: 528767431
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC(=C(C=C1Cl)C2=CC(=O)C=CC2=O)Cl
• PubChem CID: 948589
• Molekulargewicht: 253.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 117 - 118 °C
• Molekulargewicht: 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