ChemSpider 2D Image | XY1 | C17H19N3O2

XY1

  • Molecular FormulaC17H19N3O2
  • Average mass297.352 Da
  • Monoisotopic mass297.147736 Da
  • ChemSpider ID31684108

More details:

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

1-(2-Naphthyl)-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]harnstoff [German] [ACD/IUPAC Name]
1-(2-Naphthyl)-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]urea [ACD/IUPAC Name]
1-(2-Naphtyl)-3-[2-oxo-2-(1-pyrrolidinyl)éthyl]urée [French] [ACD/IUPAC Name]
1-(naphthalen-2-yl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea
1624117-53-8 [RN]
Urea, N-2-naphthalenyl-N'-[2-oxo-2-(1-pyrrolidinyl)ethyl]- [ACD/Index Name]
XY1
[1624117-53-8] [RN]
1-(naphthalen-2-yl)-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)urea
BS-15562
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      This compound is supplied in conjunction with the Structural Genomics Consortium. For further characterization details, please visit the SGC 707 probe summary on the SGC website. Tocris Bioscience 5450

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-19714
      Cell Cycle/DNA Damage; MedChem Express HY-19714
      Enzymes Tocris Bioscience 5450
      HMTase MedChem Express HY-19714
      Negative control of SGC 707 (Cat. No. 5367) Tocris Bioscience 5450
      Negative control of SGC 707 (Cat. No. 5367). Exhibits >3000-fold lower potency (IC50 >100 ?M) compared to the active analog. Tocris Bioscience 5450
      Negative control of SGC 707 (Cat. No. 5367). Exhibits >3000-fold lower potency (IC50 >100 muM) compared to the active analog. Tocris Bioscience 5450
      Negative control of SGC 707. Exhibits >3000-fold lower potency (IC50 >100 muM) compared to the active analog. Active Analog also available. Tocris Bioscience 5450
      Protein Arginine Methyltransferases Tocris Bioscience 5450
      Transferases Tocris Bioscience 5450
      XY1 is a very close analogue of SGC707 (a potent, selective, and non-competitive inhibitor of PRMT3 with IC50 of 31 nM), but XY1 is completely inactive.; Target: PRMT3; XY1 is a close analogue of SGC707, is completely inactive againstPRMT3 at concentrations as high as 100 ?M. MedChem Express HY-19714

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

Density: 1.3±0.1 g/cm3
Boiling Point: 514.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 265.1±27.9 °C
Index of Refraction: 1.670
Molar Refractivity: 86.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.36
ACD/KOC (pH 5.5): 371.79
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.35
ACD/KOC (pH 7.4): 371.72
Polar Surface Area: 61 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 231.4±3.0 cm3

Click to predict properties on the Chemicalize site


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