ChemSpider 2D Image | MDA-19 | C21H23N3O2

MDA-19

  • Molecular FormulaC21H23N3O2
  • Average mass349.426 Da
  • Monoisotopic mass349.179016 Da
  • ChemSpider ID24689676
  • Double-bond stereo - Double-bond stereo


More details:






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

Benzoic acid, 2-[(3Z)-1-hexyl-1,2-dihydro-2-oxo-3H-indol-3-ylidene]hydrazide [ACD/Index Name]
MDA-19 [Wiki]
N'-[(3Z)-1-Hexyl-2-oxo-1,2-dihydro-3H-indol-3-yliden]benzohydrazid [German] [ACD/IUPAC Name]
N'-[(3Z)-1-Hexyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide [ACD/IUPAC Name]
N'-[(3Z)-1-Hexyl-2-oxo-1,2-dihydro-3H-indol-3-ylidène]benzohydrazide [French] [ACD/IUPAC Name]
(2Z)-2-(1-HEXYL-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)HYDRAZIDE BENZOIC ACID
(2Z)-2-(1-hexyl-1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazide, benzoic acid
[1048973-47-2]
1048973-47-2 [RN]
Benzoic acid (1-hexyl-2-oxo-1,2-dihydro-indol-3-ylidene)-hydrazide
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 4205
      Cannabinoid Receptor MedChem Express HY-15451
      Cannabinoid Receptors Tocris Bioscience 4205
      CB2 agonist Tocris Bioscience 4205
      CB2 receptor agonist. Displays 4-fold higher affinity for the human CB2 receptor than the human CB1 receptor (Ki values are 43.3 and 162.4 nM respectively); shows 70-fold affinity for the rat CB2 rece ptor over the rat CB1 receptor (Ki values are 16.3 and 1130 nM respectively). Attenuates tactile allodynia in a rat model; does not affect rat locomotor activity. Tocris Bioscience 4205
      CB2 receptor agonist. Displays 4-fold higher affinity for the human CB2 receptor than the human CB1 receptor (Ki values are 43.3 and 162.4 nM respectively); shows 70-fold affinity for the rat CB2 receptor over the rat CB1 receptor (Ki values are 16.3 and 1130 nM respectively). Attenuates tactile allodynia in a rat model; does not affect rat locomotor activity. Tocris Bioscience 4205
      CB2 Receptors Tocris Bioscience 4205
      GPCR/G protein MedChem Express HY-15451
      GPCR/G protein; MedChem Express HY-15451
      MDA 19 is a selective human CB2 receptor agonist with Ki of 43.3 nM. MedChem Express http://www.medchemexpress.com/BMS-626529.html, HY-15451
      MDA 19 is a selective human CB2 receptor agonist with Ki of 43.3 nM. ;IC50 Value: 43.3 nM(Ki);Target: CB2 receptor;In vitro: MDA19 displayed 4-fold-higher affinity at the human CB(2) than at the human CB1 receptor (K(i) = 43.3 +/- 10.3 vs 162.4 +/- 7.6 nM) and nearly 70-fold-higher affinity at the rat CB2 than at the rat CB1 receptor (K(i) = 16.3 +/- 2.1 vs 1130 +/- 574 nM). In guanosine triphosphate (GTP)gamma[(35)S] functional assays, MDA19 behaved as an agonist at the human CB1 and CB2 receptors and at the rat CB1 receptor but as an inverse agonist at the rat CB2 receptor. In 3',5'-cyclic adenosine monophosphate (cAMP) assays, MDA19 behaved as an agonist at the rat CB1 receptor and exhibited no functional activity at the rat CB(2) receptor. In extracellular signal-regulated kinases 1 and 2 activation assays, in vivo: MDA19 behaved as an agonist at the rat CB2 receptor. MDA19 attenuated tactile allodynia produced by spinal nerve ligation or paclitaxel in a dose-related manner in MedChem Express HY-15451

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.607
Molar Refractivity: 103.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1857.49
ACD/KOC (pH 5.5): 7611.91
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1856.04
ACD/KOC (pH 7.4): 7605.95
Polar Surface Area: 62 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 298.9±7.0 cm3

Click to predict properties on the Chemicalize site





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