PF-9366 - ≥97% , CAS No.72882-78-1

CAS: 72882-78-1 Cat. No.: P412383 分子式: C₂OH₁₉ClN₄ 分子量: 350.84 PubChem CID: 12612431

グレード＆純度 ≥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

概要

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

仕様

同義語

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

仕様と純度

≥97%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

製品の性質

ALogP

4.355

hba_count

2

回転可能な結合

4

名前と識別子

パブケム・シド

488198179

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488198179

カノニカル・スマイル

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

異性体SMILES

CN(C)CCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=C2)C4=CC=CC=C4

PubChem CID

12612431

分子量

350.84

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

Mus musculus (284745 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: 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） 最大溶解度: 15
• DMSO（mM） 最大溶解度: 42.7545319803899
• 水（mg / mL） 最大溶解度: ˂1
• 分子量: 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% 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 72882-78-1, the molecular formula is C20H19ClN4, and the molecular weight is 350.84 g/mol. InChIKey LYLASWLQCMKZAT-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.