ChemSpider 2D Image | 6-Iodopravadoline | C23H25IN2O3

6-Iodopravadoline

  • Molecular FormulaC23H25IN2O3
  • Average mass504.361 Da
  • Monoisotopic mass504.090973 Da
  • ChemSpider ID3508738

More details:






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

6-Iodopravadoline
{6-Iod-2-methyl-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl}(4-methoxyphenyl)methanon [German] [ACD/IUPAC Name]
{6-Iodo-2-methyl-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl}(4-methoxyphenyl)methanone [ACD/IUPAC Name]
{6-Iodo-2-méthyl-1-[2-(4-morpholinyl)éthyl]-1H-indol-3-yl}(4-méthoxyphényl)méthanone [French] [ACD/IUPAC Name]
{6-Iodo-2-methyl-1-[2-(morpholin-4-yl)ethyl]-1H-indol-3-yl}(4-methoxyphenyl)methanone
164178-33-0 [RN]
AM-630 [Wiki]
Methanone, [6-iodo-2-methyl-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl](4-methoxyphenyl)- [ACD/Index Name]
U1LNJ6NBKA
(6-iodo-2-methyl-1-(2-morpholinoethyl)-1H-indol-3-yl)(4-methoxyphenyl)methanone
More...

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

CCRIS 4693 [DBID]
NCGC00025012-01 [DBID]
Tocris-1120 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-09589]
    • Safety:

      20/21/22 Novochemy [NC-09589]
      20/21/36/37/39 Novochemy [NC-09589]
      5 Axon Medchem 1574
      GHS07; GHS09 Novochemy [NC-09589]
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1574
      H332; H403 Novochemy [NC-09589]
      IRRITANT Matrix Scientific 090860
      no pictogram Axon Medchem 1574
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1574
      P332+P313; P305+P351+P338 Novochemy [NC-09589]
      R22 Novochemy [NC-09589]
      Warning Novochemy [NC-09589]
      Warning Axon Medchem 1574
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1120
      AM630 is a selectivity CB2 antagonist with Ki of 31.2 nM; MedChem Express http://www.medchemexpress.com/trelagliptin.html
      AM630 is a selectivity CB2 antagonist with Ki of 31.2 nM; > 150 fold selectivity over CB1 receptor.; IC50 Value: 31.2 nM; Target: CB2 receptor; AM630 is a selective CB2 receptor antagonist that binds to CB1 and CB2 receptors with Ki values of 5.2 uM and 31.2 nM, respectively. MedChem Express HY-15421
      AM630 is a selectivity CB2 antagonist with Ki of 31.2 nM; > 150 fold selectivity over CB1 receptor.;IC50 Value: 31.2 nM;Target: CB2 receptorAM630 is a selective CB2 receptor antagonist that binds to CB1 and CB2 receptors with Ki values of 5.2 uM and 31.2 nM, respectively. AM630 has been shown to display 165-fold selectivity over CB1 receptors and behave as a weak partial/inverse agonist at CB1 receptors. AM630 acts as a cannabinoid receptor antagonist in mouse brain, vas deferens and guinea pig brain, but acts as an agonist in guinea pig leum. AM630 acts as an inverse agonist on cloned human CB1 receptors. MedChem Express HY-15421
      Cannabinoid Receptor MedChem Express HY-15421
      Cannabinoid Receptors Tocris Bioscience 1120
      CB2 antagonist/inverse agonist (Ki = 31.2 nM) that displays 165-fold selectivity over CB1 receptors. Behaves as a weak partial/inverse agonist at CB1 receptors. Tocris Bioscience 1120
      CB2 inverse agonist (Ki = 31.2 nM) that displays 165-fold selectivity over CB1 receptors. Behaves as a weak partial/inverse agonist at CB1 receptors. Tocris Bioscience 1120
      CB2 Receptors Tocris Bioscience 1120
      CB2 selective antagonist/inverse agonist Tocris Bioscience 1120
      CB2 selective inverse agonist Tocris Bioscience 1120
      GPCR/G protein MedChem Express HY-15421
      GPCR/G protein; MedChem Express HY-15421

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

Density: 1.5±0.1 g/cm3
Boiling Point: 605.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.3±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 122.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 34.50
ACD/KOC (pH 5.5): 165.96
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 764.79
ACD/KOC (pH 7.4): 3678.85
Polar Surface Area: 44 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 336.3±7.0 cm3

Click to predict properties on the Chemicalize site





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