BAY-297 - Moligand™ , Inhibitor of phosphatidylinositol-5-phosphate 4-kinase type 2 alpha, CAS No.B607942, Inhibitor of phosphatidylinositol-5-phosphate 4-kinase type 2 alpha

CAS: B607942 Cat. No.: B607942 PubChem CID: 155884469

GRADE & PURITY Moligand™

Synonyms

BAY297;compound 58

Storage

Room temperature

Specifications

Synonyms

BAY297;compound 58

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of phosphatidylinositol-5-phosphate 4-kinase type 2 alpha

Names and Identifiers

• Canonical Smiles: Clc1c(c(ccc1)c1ccc(cc1)c1nc2cnccc2c(c1C#N)N[C@@H](C(=O)N)CC)F
• IUPAC Name: (2R)-2-[[2-[4-(3-chloro-2-fluorophenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide
• InChIKey: LACMSNCHWBQXEK-HXUWFJFHSA-N
• INCHI: 1S/C25H19ClFN5O/c1-2-20(25(29)33)31-24-17-10-11-30-13-21(17)32-23(18(24)12-28)15-8-6-14(7-9-15)16-4-3-5-19(26)22(16)27/h3-11,13,20H,2H2,1H3,(H2,29,33)(H,31,32)/t20-/m1/s1
• PubChem CID: 155884469

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorinated biphenyls
• Alternative Parents: Phenylpyridines Alpha amino acid amides Naphthyridines Secondary alkylarylamines Fluorobenzenes Chlorobenzenes Aminopyridines and derivatives Fatty amides Aryl fluorides Aryl chlorides Heteroaromatic compounds Primary carboxylic acid amides Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chlorinated biphenyl - 2-phenylpyridine - Alpha-amino acid amide - Diazanaphthalene - Naphthyridine - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Secondary aliphatic/aromatic amine - Halobenzene - Fluorobenzene - Chlorobenzene - Aminopyridine - Fatty acyl - Pyridine - Fatty amide - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl 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

Associated Targets(Human)

PIP4K2A Tbio Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha (0 Activities)

Discover Target: PIP4K2A

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