MAT2A inhibitor 4 - ≥99% , CAS No.1391934-91-0

CAS: 1391934-91-0 Cat. No.: M648260 Molecular Weight: 275.75 PubChem CID: 60141313

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

MAT2A inhibitor 4 is an inhibitor of the catalytic subunit of methionine S-adenosyltransferase-2 ( MAT2A ). MAT2A inhibitor 4 can be used for the research of cancer

In Vitro

MAT2A inhibitor 4 is an inhibitor of the catalytic subunit of methionine S-adenosyltransferase-2. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:MAT2A

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

MAT2A inhibitor 4 is an inhibitor of the catalytic subunit of methionine S-adenosyltransferase-2 ( MAT2A ). MAT2A inhibitor 4 can be used for the research of cancer.

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%

Names and Identifiers

• Canonical Smiles: CN(C)C1=CC=C(C=C1)C=CC2=C(C=CC=C2Cl)F
• IUPAC Name: 4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N,N-dimethylaniline
• InChIKey: ZAXUUHSGXRGGON-DHZHZOJOSA-N
• INCHI: 1S/C16H15ClFN/c1-19(2)13-9-6-12(7-10-13)8-11-14-15(17)4-3-5-16(14)18/h3-11H,1-2H3/b11-8+
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)/C=C/C2=C(C=CC=C2Cl)F
• PubChem CID: 60141313
• Molecular Weight: 275.75

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Styrenes Dialkylarylamines Aniline and substituted anilines Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Styrene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Organochloride - Organofluoride - Organonitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 250 mg/mL (906.62 mM; Need ultrasonic)
• Molecular Weight: 275.750 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 275.088 Da
• Monoisotopic Mass: 275.088 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 297.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1