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

CAS: 197525-99-8 Cat. No.: T287027 Formula: C₂₀H₁₄ClN Molecular Weight: 303.78 PubChem CID: 9861261

GRADE & PURITY ≥99%(HPLC)

Synonyms

2-Chloro-α,α-diphenylbenzeneacetonitrile | 2-(2-chlorophenyl)-2,2-diphenylacetonitrile

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-Chloro-α,α-diphenylbenzeneacetonitrile | 2-(2-chlorophenyl)-2,2-diphenylacetonitrile

Specifications & Purity

≥99%(HPLC)

Biochemical and Physiological Mechanisms

Potent intermediate conductance Ca2+-activated K+channel (KCa3.1) blocker (Kd= 60 nM). Has no effect on cytochrome p450 activity. InhibitsI-EBIO-stimulated increases in rat artery membrane potentialex vivo. Also diminishes LPS-induced cryptidin (mammalian

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%(HPLC)

Names and Identifiers

Pubchem Sid

504764999

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

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

PubChem CID

9861261

Molecular Weight

303.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 15.44, Max Conc. mM: 50
• Molecular Weight: 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

Frequently Asked Questions

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.