PIK-108 - Moligand™ , Allosteric modulator of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Allosteric modulator of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit beta;Allosteric modulator of phosphatidylinositol, Allosteric modulator of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Allosteric modulator of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit beta;Allosteric modulator of phosphatidylinositol-4;5-bisphosphate 3-ki

CAS: P612834 Cat. No.: P612834 PubChem CID: 54751698

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

ALLOSTERIC MODULATOR

Mecanismo de acción

Allosteric modulator of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Allosteric modulator of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit beta;Allosteric modulator of phosphatidylinositol-4;5-bisphosphate 3-ki

Nombres e identificadores

• Sonrisas canónicas: Cc1cc([C@@H](Nc2ccccc2)C)c2c(c1)c(=O)cc(o2)N1CCOCC1
• IUPAC Name: 8-[(1S)-1-anilinoethyl]-6-methyl-2-morpholin-4-ylchromen-4-one
• InChIKey: VRCXIJAYLCUSHC-INIZCTEOSA-N
• INCHI: 1S/C22H24N2O3/c1-15-12-18(16(2)23-17-6-4-3-5-7-17)22-19(13-15)20(25)14-21(27-22)24-8-10-26-11-9-24/h3-7,12-14,16,23H,8-11H2,1-2H3/t16-/m0/s1
• Isómeros SMILES: CC1=CC2=C(C(=C1)[C@H](C)NC3=CC=CC=C3)OC(=CC2=O)N4CCOCC4
• PubChem CID: 54751698

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Phenylalkylamines Dialkylarylamines Aniline and substituted anilines Secondary alkylarylamines Pyranones and derivatives Morpholines Vinylogous amides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Dialkylarylamine - Aniline or substituted anilines - Phenylalkylamine - Pyranone - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyran - Benzenoid - Vinylogous amide - Heteroaromatic compound - Dialkyl ether - Secondary amine - Ether - Oxacycle - Azacycle - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: 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

Objetivos asociados (humanos)

PIK3CA Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (1 Activities)

Discover Target: PIK3CA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PIK3CB Tchem Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (1 Activities)

Discover Target: PIK3CB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PIK3CD Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (1 Activities)

Discover Target: PIK3CD

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)