(E)-N-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-N-methyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]methenimidamide - Moligand™ , Inhibitor of squalene synthase , CAS No.E608901, Inhibitor of squalene synthase

CAS: E608901 Cat. No.: E608901 PubChem CID: 10409462

GRADE & PURITY Moligand™

Synonyms

compound 1 [PMID: 8496942] | N-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-methyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]methanimidamide | Q27076396 | N-Homogeranyl-mff | Methanimidamide, N-(4,8-dimethyl-3,7-nonadienyl)-N-methyl-N'-(3,7,11-trimethyl-2

Storage

Room temperature

Specifications

Synonyms

compound 1 [PMID: 8496942] | N-[(3E)-4, 8-dimethylnona-3, 7-dienyl]-N-methyl-N'-[(2E, 6E)-3, 7, 11-trimethyldodeca-2, 6, 10-trienyl]methanimidamide | Q27076396 | N-Homogeranyl-mff | Methanimidamide, N-(4, 8-dimethyl-3, 7-nonadienyl)-N-methyl-N'-(3, 7, 11-trimethyl-2

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of squalene synthase

Names and Identifiers

• Canonical Smiles: CN(CC/C=C(/CCC=C(C)C)\C)/C=N/C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
• IUPAC Name: (E)-N-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-N-methyl-N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]methenimidamide
• InChIKey: PYSOMVKWLNTIIA-IMGWONPXSA-N
• INCHI: 1S/C28H48N2/c1-24(2)13-9-15-26(5)17-11-18-28(7)20-21-29-23-30(8)22-12-19-27(6)16-10-14-25(3)4/h13-14,17,19-20,23H,9-12,15-16,18,21-22H2,1-8H3/b26-17+,27-19+,28-20+,29-23+
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/CN=CN(C)CC/C=C(\C)/CCC=C(C)C)/C)/C)C
• PubChem CID: 10409462

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Formamidines Carboximidamides Carboxamidines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Farsesane sesquiterpenoid - Sesquiterpenoid - Formamidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Description: 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

Associated Targets(Human)

FDFT1 Tchem Squalene synthase (2 Activities)

Discover Target: FDFT1

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

Mechanisms of Action