quinostatin - Moligand™ , Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit gamma, CAS No.Q613055, Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit gamma

CAS: Q613055 Cat. No.: Q613055 PubChem CID: 6620134

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit gamma

Names and Identifiers

• Canonical Smiles: CCc1ccc(cc1)C(=O)c1cnc2c(c1N1CCC(CC1)C(=O)N)cc1c(c2)OCCO1
• IUPAC Name: 1-[8-(4-ethylbenzoyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]piperidine-4-carboxamide
• InChIKey: TZUJFIBUVNERIP-UHFFFAOYSA-N
• INCHI: 1S/C26H27N3O4/c1-2-16-3-5-17(6-4-16)25(30)20-15-28-21-14-23-22(32-11-12-33-23)13-19(21)24(20)29-9-7-18(8-10-29)26(27)31/h3-6,13-15,18H,2,7-12H2,1H3,(H2,27,31)
• Isomeric SMILES: CCC1=CC=C(C=C1)C(=O)C2=C(C3=CC4=C(C=C3N=C2)OCCO4)N5CCC(CC5)C(=O)N
• PubChem CID: 6620134

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass 4-aroylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: 4-aroylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aroylquinolines
• Alternative Parents: 2-aroylquinolines Aryl-phenylketones 4-aminoquinolines Benzo-1,4-dioxanes Pyridinecarboxylic acids and derivatives Piperidinecarboxamides Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers Aminopyridines and derivatives Para dioxins Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-aroylquinoline - 4-aroylquinoline - Aryl-phenylketone - 4-aminoquinoline - Aminoquinoline - Benzo-1,4-dioxane - Benzodioxane - Piperidinecarboxamide - Pyridine carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Benzoyl - Aryl ketone - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Para-dioxin - Benzenoid - Piperidine - Pyridine - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxamide group - Ketone - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Oxacycle - Ether - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-aroylquinolines. These are compounds containing a quinoline which carries an aroyl group at the 4-position. An aroyl group is a univalent radical R-CO- derived from an aromatic carboxylic acid.
• 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

Associated Targets(Human)

PIK3CG Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (1 Activities)

Discover Target: PIK3CG

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

PIK3CA Tclin Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (2 Activities)

Discover Target: PIK3CA

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