COMBOIO 39 - ≥99%(HPLC) , CAS No.197525-99-8

CAS: 197525-99-8 Cat. No.: T287027 Fórmula: C₂₀H₁₄ClN Peso molecular: 303.78 PubChem CID: 9861261

GRADE & PURITY ≥99%(HPLC)

Synonyms

2-Cloro-α,α-difenilbenzenoacetonitrilo | 2-(2-clorofenil)-2,2-difenilacetonitrilo

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Specifications

Sinónimos

2-Cloro-α,α-difenilbenzenoacetonitrilo | 2-(2-clorofenil)-2,2-difenilacetonitrilo

Especificações e pureza

≥99%(HPLC)

Mecanismos bioquímicos e fisiológicos

Potente bloqueador dos canais de K+ activados por Ca2+ de condutância intermédia (KCa3.1) (Kd= 60 nM). Não tem efeito sobre a atividade do citocromo p450. Inibe os aumentos estimulados por I-EBIO no potencial de membrana da artéria de ratox vivo. Diminui

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Pureza

≥99%(HPLC)

Nomes e identificadores

Pubchem Sid

504764999

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764999

Sorrisos canónicos

C1=CC=C(C=C1)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3Cl

IUPAC Name

2-(2-chlorophenyl)-2,2-diphenylacetonitrile

InChIKey

JHNRTPKGSCVKKC-UHFFFAOYSA-N

INCHI

1S/C20H14ClN/c21-19-14-8-7-13-18(19)20(15-22,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H

SMILES isoméricas

C1=CC=C(C=C1)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3Cl

PubChem CID

9861261

Peso molecular

303.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Diphenylacetonitriles Chlorobenzenes Aryl chlorides Nitriles Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Diphenylacetonitrile - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carbonitrile - Nitrile - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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 (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

NIH3T3 (5395 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 15.44, Max Conc. mM: 50
• Peso molecular: 303.800 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 303.081 Da
• Monoisotopic Mass: 303.081 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 379.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. 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 197525-99-8, the molecular formula is C20H14ClN, and the molecular weight is 303.78 g/mol. InChIKey JHNRTPKGSCVKKC-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.