BPH-830 - Moligand™ , Inhibitor of squalene synthase , CAS No.B608196, Inhibitor of squalene synthase

CAS: B608196 Cat. No.: B608196 PubChem CID: 44182294

GRADE & PURITY Moligand™

Synonyms

BPH 830;BPH830

Storage

Room temperature

Specifications

Synonyms

BPH 830;BPH830

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of squalene synthase

Names and Identifiers

• Canonical Smiles: O=C(CP(=O)(O)O)NCCCc1cccc(c1)Oc1ccccc1
• IUPAC Name: [2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid
• InChIKey: GNETVUVZFYJATO-UHFFFAOYSA-N
• INCHI: 1S/C17H20NO5P/c19-17(13-24(20,21)22)18-11-5-7-14-6-4-10-16(12-14)23-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,18,19)(H2,20,21,22)
• Isomeric SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)CCCNC(=O)CP(=O)(O)O
• PubChem CID: 44182294

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Organic phosphonic acids Secondary carboxylic acid amides Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Organophosphonic acid - Organophosphonic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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)

FDFT1 Tchem Squalene synthase (1 Activities)

Discover Target: FDFT1

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

Mechanisms of Action