(5E,9E)-6,10,14-trimethyl-1-phosphonatopentadeca-5,9,13-triene-1-sulfonate - Moligand™ , Inhibitor of squalene synthase , CAS No.E609284, Inhibitor of squalene synthase

CAS: E609284 Cat. No.: E609284 PubChem CID: 56947060

GRADE & PURITY Moligand™

Synonyms

compound 4

Storage

Room temperature

Specifications

Sinónimos

compound 4

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of squalene synthase

Nombres e identificadores

• Sonrisas canónicas: C/C(=C\CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-])/CC/C=C(/CCC=C(C)C)\C
• IUPAC Name: (5E,9E)-6,10,14-trimethyl-1-phosphonatopentadeca-5,9,13-triene-1-sulfonate
• InChIKey: GAGCDEGBGYUQJJ-QKXOVSGLSA-K
• INCHI: 1S/C18H33O6PS/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(25(19,20)21)26(22,23)24/h9-10,13,18H,5-8,11-12,14H2,1-4H3,(H2,19,20,21)(H,22,23,24)/p-3/b16-10+,17-13+
• Isómeros SMILES: CC(=CCC/C(=C/CC/C(=C/CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-])/C)/C)C
• PubChem CID: 56947060

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Sulfonyls Organosulfonic acids Organic phosphonic acids Alkanesulfonic acids Organophosphorus compounds Organic oxides Hydrocarbon derivatives Organic anions
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sesquiterpenoid - Farsesane sesquiterpenoid - Organophosphonic acid - Organophosphonic acid derivative - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organophosphorus compound - Organic anion - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• 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)

FDFT1 Tchem Squalene synthase (1 Activities)

Discover Target: FDFT1

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