PI 828 - ≥99%(HPLC) , CAS No.942289-87-4

CAS: 942289-87-4 Cat. No.: P288720 分子式: C₁₉H₁₈N₂O₃ 分子量: 322.36 PubChem CID: 25181195

グレード＆純度 ≥99%(HPLC)

Synonyms

2-(4-Morpholinyl)-8-(4-aminopheny)l-4H-1-benzopyran-4-one | LY 294002, 4gamma-NH2 | 8-(4-aminophenyl)-2-morpholino-4H-chromen-4-one | 8-(4-Aminophenyl)-2-(morpholin-4-yl)-4H-chromen-4-one | Q27165404 | DTXSID60648967 | LY294002 4'-NH2 | 8-(4-aminophenyl)-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Product description：

PI-828 is a dual PI3K and casein kinase 2 (CK2) inhibitor with IC50s of 173 nM, 149 nM, and 1127 nM for p110α, CK2, and CK2α2 in lipid kinase assay, respectively.

仕様

同義語

2-(4-Morpholinyl)-8-(4-aminopheny)l-4H-1-benzopyran-4-one | LY 294002, 4gamma-NH2 | 8-(4-aminophenyl)-2-morpholino-4H-chromen-4-one | 8-(4-Aminophenyl)-2-(morpholin-4-yl)-4H-chromen-4-one | Q27165404 | DTXSID60648967 | LY294002 4'-NH2 | 8-(4-aminophenyl)-

仕様と純度

≥99%(HPLC)

生化学的・生理学的メカニズム

PI 3-Kinase inhibitor (IC50values are 0.098, 0.183, 0.227 and 1.967μM for p110β, p110α, p110δand p110γrespectively) that displays higher potency thanLY 294002(Cat No. 1130). Can be immobilized onto a solid phase.

保管条件

Protected from light,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。

アクションタイプ

INHIBITOR

純度

≥99%(HPLC)

名前と識別子

パブケム・シド

488200777

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488200777

カノニカル・スマイル

C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)N

IUPAC Name

8-(4-aminophenyl)-2-morpholin-4-ylchromen-4-one

InChIKey

WUKMIBOGGXMBAC-UHFFFAOYSA-N

INCHI

1S/C19H18N2O3/c20-14-6-4-13(5-7-14)15-2-1-3-16-17(22)12-18(24-19(15)16)21-8-10-23-11-9-21/h1-7,12H,8-11,20H2

異性体SMILES

C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)N

PubChem CID

25181195

分子量

322.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Pyranones and derivatives Morpholines Vinylogous amides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Dialkylarylamine - Aniline or substituted anilines - Pyranone - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyran - Benzenoid - Vinylogous amide - Heteroaromatic compound - Dialkyl ether - Ether - Azacycle - Oxacycle - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Primary amine - Amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
• 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

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 32.24, Max Conc. mM: 100
• 感度: light sensitive
• 分子量: 322.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 322.132 Da
• Monoisotopic Mass: 322.132 Da
• Topological Polar Surface Area: 64.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 493.000
• 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