PF-9366 - ≥97% , CAS No.72882-78-1

CAS: 72882-78-1 Cat. No.: P412383 Fórmula: C₂OH₁₉ClN₄ Peso molecular: 350.84 PubChem CID: 12612431

GRADE & PURITY ≥97%

Synonyms

7-Chloro-N,N-dimethyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-1-ethanamine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

PF-9366 PF-9366 is a human methionine adenosyltransferase 2A (Mat2A) inhibitor with IC50 of 420 nM and Kd of 170 nM.

Targets

hMat2A (Cell-free assay); hMat2A (Cell-free assay) 170 nM(Kd); 420 nM

Specifications

Sinónimos

7-Chloro-N,N-dimethyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-1-ethanamine

Especificações e pureza

≥97%

Mecanismos bioquímicos e fisiológicos

PF-9366 is a human methionine adenosyltransferase 2A (Mat2A) inhibitor with IC50 of 420 nM and Kd of 170 nM.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Propriedades do produto

• ALogP: 4.355
• hba_count: 2
• Ligação rotativa: 4

Nomes e identificadores

• Pubchem Sid: 488198179
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198179
• Sorrisos canónicos: CN(C)CCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=C2)C4=CC=CC=C4
• IUPAC Name: 2-(7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethanamine
• InChIKey: LYLASWLQCMKZAT-UHFFFAOYSA-N
• INCHI: 1S/C20H19ClN4/c1-24(2)11-10-19-22-23-20-13-16(14-6-4-3-5-7-14)17-12-15(21)8-9-18(17)25(19)20/h3-9,12-13H,10-11H2,1-2H3
• SMILES isoméricas: CN(C)CCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=C2)C4=CC=CC=C4
• PubChem CID: 12612431
• Peso molecular: 350.84

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Phenylpyridines Chloroquinolines Triazolopyridines Aralkylamines Benzene and substituted derivatives Aryl chlorides Triazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - 4-phenylpyridine - Haloquinoline - Chloroquinoline - Triazolopyridine - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Azole - 1,2,4-triazole - Triazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• 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 (humanos)

MAT2A Tchem S-adenosylmethionine synthase isoform type-2 (713 Activities)

Discover Target: MAT2A

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

Alvos associados (não humanos)

Mus musculus (284745 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 15 mg/mL (42.75 mM); Ethanol: 3 mg/mL (8.55 mM); Water: ˂1 mg/mL
• DMSO (mg/mL) Solubilidade máxima: 15
• DMSO (mM) Solubilidade máxima: 42.7545319803899
• Água (mg/mL) Solubilidade máxima: ˂1
• Peso molecular: 350.800 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 350.13 Da
• Monoisotopic Mass: 350.13 Da
• Topological Polar Surface Area: 33.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 439.000
• 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