ChemSpider 2D Image | CYM 5541 | C19H28N2O2

CYM 5541

  • Molecular FormulaC19H28N2O2
  • Average mass316.438 Da
  • Monoisotopic mass316.215088 Da
  • ChemSpider ID24756354

More details:

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

3-Isoxazolecarboxamide, N,N-dicyclohexyl-5-cyclopropyl- [ACD/Index Name]
945128-26-7 [RN]
CYM 5541
N,N-Dicyclohexyl-5-cyclopropyl-1,2-oxazol-3-carboxamid [German] [ACD/IUPAC Name]
N,N-Dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
N,N-Dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]
(E)-4-(4-Aminostyryl)benzenamine
[945128-26-7] [RN]
CID 17253208
CYM 5541(ML-249)
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 4897
      Selective S1P3 receptor allosteric agonist Tocris Bioscience 4897
      Selective sphingosine-1-phosphate receptor 3 (S1P3) allosteric agonist (EC50 = 72-132 nM). Occupies a different space within the ligand binding pocket of S1P3 than S1P. Displays no activity at S1P1, S 1P2, S1P4 and S1P5 receptors at concentrations up to 10 ?M. Shows no significant activities in a profiling panel of 55 GPCRs, ion channels and transporters. Tocris Bioscience 4897
      Selective sphingosine-1-phosphate receptor 3 (S1P3) allosteric agonist (EC50 = 72-132 nM). Occupies a different space within the ligand binding pocket of S1P3 than S1P. Displays no activity at S1P1, S1P2, S1P4 and S1P5 receptors at concentrations up to 10 ?M. Shows no significant activities in a profiling panel of 55 GPCRs, ion channels and transporters. Tocris Bioscience 4897
      Selective sphingosine-1-phosphate receptor 3 (S1P3) allosteric agonist (EC50 = 72-132 nM). Occupies a different space within the ligand binding pocket of S1P3 than S1P. Displays no activity at S1P1, S1P2, S1P4 and S1P5 receptors at concentrations up to 10 muM. Shows no significant activities in a profiling panel of 55 GPCRs, ion channels and transporters. Tocris Bioscience 4897
      Sphingosine-1-phosphate Receptors Tocris Bioscience 4897

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 503.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 258.1±26.8 °C
Index of Refraction: 1.559
Molar Refractivity: 88.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 446.70
ACD/KOC (pH 5.5): 2744.64
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 446.70
ACD/KOC (pH 7.4): 2744.64
Polar Surface Area: 46 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 275.5±5.0 cm3

Click to predict properties on the Chemicalize site


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