2-({[(3-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)methyl]carbamoyl}(hydroxy)amino)-2-methylpropanoate - Moligand™ , Inhibitor of squalene synthase , CAS No.E608688, Inhibitor of squalene synthase

CAS: E608688 Cat. No.: E608688 PubChem CID: 56947012

GRADE & PURITY Moligand™

Synonyms

compound 12

Storage

Room temperature

Specifications

Sinónimos

compound 12

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\COc1cccc(c1)CNC(=O)N(C(C(=O)[O-])(C)C)O)/CCC=C(C)C
• IUPAC Name: 2-({[(3-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)methyl]carbamoyl}(hydroxy)amino)-2-methylpropanoate
• InChIKey: NOJVBPONEXVKGV-SFQUDFHCSA-M
• INCHI: 1S/C22H32N2O5/c1-16(2)8-6-9-17(3)12-13-29-19-11-7-10-18(14-19)15-23-21(27)24(28)22(4,5)20(25)26/h7-8,10-12,14,28H,6,9,13,15H2,1-5H3,(H,23,27)(H,25,26)/p-1/b17-12+
• Isómeros SMILES: CC(=CCC/C(=C/COC1=CC=CC(=C1)CNC(=O)N(C(C)(C)C(=O)[O-])O)/C)C
• PubChem CID: 56947012

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-hydroxyl-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-hydroxyl-alpha-amino acids
• Alternative Parents: Monocyclic monoterpenoids Aromatic monoterpenoids Phenoxy compounds Phenol ethers Alkyl aryl ethers Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-hydroxyl-alpha-amino acid - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid salt - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic anion - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-hydroxyl-alpha-amino acids. These are alpha amino acids that carry a hydroxyl group at the N-terminal.
• 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 (2 Activities)

Discover Target: FDFT1

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