ChemSpider 2D Image | Dafadine A | C23H25N3O3

Dafadine A

  • Molecular FormulaC23H25N3O3
  • Average mass391.463 Da
  • Monoisotopic mass391.189606 Da
  • ChemSpider ID22141101

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{5-[(2,6-Dimethylphenoxy)methyl]-1,2-oxazol-3-yl}[4-(4-pyridinyl)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
{5-[(2,6-Dimethylphenoxy)methyl]-1,2-oxazol-3-yl}[4-(4-pyridinyl)-1-piperidinyl]methanone [ACD/IUPAC Name]
{5-[(2,6-Diméthylphénoxy)méthyl]-1,2-oxazol-3-yl}[4-(4-pyridinyl)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
1065506-69-5 [RN]
4-(1-{5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl}piperidin-4-yl)pyridine
Dafadine A
Dafadine-A
Methanone, [5-[(2,6-dimethylphenoxy)methyl]-3-isoxazolyl][4-(4-pyridinyl)-1-piperidinyl]- [ACD/Index Name]
(5-((2,6-dimethylphenoxy)methyl)isoxazol-3-yl)(4-(pyridin-4-yl)piperidin-1-yl)methanone
[1065506-69-5]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      An <element>N</element>-acylpiperidine obtained by formal condensation of the carboxy group of 5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid with the secondary amino group of 4-(pyridi n-4-yl)piperidine. ChEBI CHEBI:88327

    • Bio Activity:

      Cytochrome P450 MedChem Express HY-16670
      Dafadine-A, an analog of dafadine, is a novel inhibitor of DAF-9 cytochrome P450 in the nematode Caenorhabditis elegans; also inhibits the mammalian ortholog of DAF-9(CYP27A1). MedChem Express http://www.medchemexpress.com/oncrasin-1.html, HY-16670
      Dafadine-A, an analog of dafadine, is a novel inhibitor of DAF-9 cytochrome P450 in the nematode Caenorhabditis elegans; also inhibits the mammalian ortholog of DAF-9(CYP27A1). ;IC50 value:;Target: DAF-9(CYP27A1) inhibitor;The DAF-9 cytochrome P450 is a key regulator of dauer formation, developmental timing and longevity in the nematodeCaenorhabditis elegans. Here we describe the first identified chemical inhibitor of DAF-9 and the first reported small-molecule tool that robustly induces dauer formation in typical culture conditions. This molecule (called dafadine) also inhibits the mammalian ortholog of DAF-9(CYP27A1), suggesting that dafadine can be used to interrogate developmental control and longevity in other animals. MedChem Express HY-16670
      Metabolism/Protease MedChem Express HY-16670
      Metabolism/Protease; MedChem Express HY-16670

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 600.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 316.9±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 40.74
ACD/KOC (pH 5.5): 366.01
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 114.66
ACD/KOC (pH 7.4): 1029.99
Polar Surface Area: 68 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 325.2±3.0 cm3

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