MAT2A inhibitor 1 - ≥99% , CAS No.2201057-10-3

CAS: 2201057-10-3 Cat. No.: M647103 Peso molecular: 526.61 PubChem CID: 137296045

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

MAT2A inhibitor 1 is a methionine adenosyltransferase 2A (MATA2) inhibitor with an IC 50 less than l00 nM

In Vitro

MAT2A inhibitor 1 (Compound 196) is a safe and effective compound that prevents and manages cancers while reducing or avoiding the toxicities and/or side effects associated with the conventional therapies. The cancers include those that are refractory to standard treatments, such as surgery, radiation therapy, chemotherapy and hormonal therapy. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:MATA2

Specifications

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

MAT2A inhibitor 1 is a methionine adenosyltransferase 2A (MATA2) inhibitor with an IC 50 less than l00 nM.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC1=NC2=C(S1)C=C(C=C2)C3=C(NC4=C(C(=NN4C3=O)C5=CC=CC=C5)C6=CC=CC=C6)NC7=CC=CC=N7
• IUPAC Name: 6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyrimidin-7-one
• InChIKey: ZTNQNZDNHUAVEI-UHFFFAOYSA-N
• INCHI: 1S/C31H22N6OS/c1-19-33-23-16-15-22(18-24(23)39-19)27-29(34-25-14-8-9-17-32-25)35-30-26(20-10-4-2-5-11-20)28(36-37(30)31(27)38)21-12-6-3-7-13-21/h2-18,35H,1H3,(H,32,34)
• Isómeros SMILES: CC1=NC2=C(S1)C=C(C=C2)C3=C(NC4=C(C(=NN4C3=O)C5=CC=CC=C5)C6=CC=CC=C6)NC7=CC=CC=N7
• PubChem CID: 137296045
• Peso molecular: 526.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrazolopyrimidines
      • Subclass Pyrazolo[1,5-a]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrazolopyrimidines
• Subclass: Pyrazolo[1,5-a]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolo[1,5-a]pyrimidines
• Alternative Parents: Benzothiazoles Pyrimidones 2-halopyridines Imidolactams Benzene and substituted derivatives Vinylogous amides Thiazoles Pyrazoles Heteroaromatic compounds Lactams Secondary amines Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolo[1,5-a]pyrimidine - 1,3-benzothiazole - 2-halopyridine - Pyrimidone - Imidolactam - Benzenoid - Pyrimidine - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Thiazole - Pyrazole - Azole - Lactam - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 5 mg/mL (9.49 mM; Need ultrasonic and warming)
• Peso molecular: 526.600 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 526.158 Da
• Monoisotopic Mass: 526.158 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 917.000
• 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