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

CAS: 2201057-10-3 Cat. No.: M647103 Formula: C₃₁H₂₂N₆OS Peso molecolare: 526.61 PubChem CID: 137296045

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

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

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

Sorrisi canonici

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)

Isomeri 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 molecolare

526.61

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO : 5 mg/mL (9.49 mM; Need ultrasonic and warming)
• Peso molecolare: 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% 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 2201057-10-3, the molecular formula is C31H22N6OS, and the molecular weight is 526.61 g/mol. InChIKey ZTNQNZDNHUAVEI-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.