TPI-1 - ≥97% , CAS No.79756-69-7

CAS: 79756-69-7 Cat. No.: T413523 分子式: C₁₂H₆Cl₂O₂ 分子量: 253.08 EC番号: 830-085-7 PubChem CID: 948589

GRADE & PURITY ≥97%

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 -20°C

Shipped In

Ice chest + Ice pads

概要

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

同義語

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

仕様と純度

≥97%

生化学的・生理学的メカニズム

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.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

504760325

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504760325

カノニカル・スマイル

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

異性体SMILES

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

PubChem CID

948589

分子量

253.08

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 51 mg/mL (201.51 mM); Ethanol: 10 mg/mL (39.51 mM); Water: Insoluble
• 融点（°C）: 117 - 118 °C
• 分子量: 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 79756-69-7, the molecular formula is C12H6Cl2O2, and the molecular weight is 253.08 g/mol. InChIKey ZKHFYORNAYYOTM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.