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

CAS: 942289-87-4 Cat. No.: P288720 Molecular Weight: 322.36 PubChem CID: 25181195

GRADE & PURITY ≥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

Overview

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.

Specifications

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)-

Specifications & Purity

≥99%(HPLC)

Biochemical and Physiological Mechanisms

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.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%(HPLC)

Names and Identifiers

• Pubchem Sid: 488200777
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200777
• Canonical Smiles: 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
• Isomeric SMILES: C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)N
• PubChem CID: 25181195
• Molecular Weight: 322.36

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 32.24, Max Conc. mM: 100
• Sensitivity: light sensitive
• Molecular Weight: 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