ChemSpider 2D Image | L-817,818 | C33H36N4O3

L-817,818

  • Molecular FormulaC33H36N4O3
  • Average mass536.664 Da
  • Monoisotopic mass536.278748 Da
  • ChemSpider ID8112641

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-Aminopropyl N2-{[2-(2-naphthyl)-1H-benzo[g]indol-3-yl]acetyl}-D-lysinate [ACD/IUPAC Name]
(2S)-2-Aminopropyl-N2-{[2-(2-naphthyl)-1H-benzo[g]indol-3-yl]acetyl}-D-lysinat [German] [ACD/IUPAC Name]
217480-27-8 [RN]
D-Lysine, N2-[2-[2-(2-naphthalenyl)-1H-benz[g]indol-3-yl]acetyl]-, (2S)-2-aminopropyl ester [ACD/Index Name]
L-817,818
N2-{2-[2-(2-Naphtyl)-1H-benzo[g]indol-3-yl]acétyl}-D-lysinate de (2S)-2-aminopropyle [French] [ACD/IUPAC Name]
(2S)-2-aminopropyl (2R)-6-amino-2-{2-[2-(naphthalen-2-yl)-1H-benzo[g]indol-3-yl]acetamido}hexanoate
(2S)-2-aminopropyl N(2)-{[2-(naphthalen-2-yl)-1H-benzo[g]indol-3-yl]acetyl}-D-lysinate
[(2S)-2-Aminopropyl] (2R)-6-amino-2-[[2-(2-naphthalen-2-yl-1H-benzo[g]indol-3-yl)acetyl]amino]hexanoate
[217480-27-8] [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A benzoindole that is 1H-benzo[g]indole substituted by naphthalen-2-yl and 2-({(2R)-6-amino-1-[(2S)-2-aminopropoxy]-1-oxohexan-2-yl}amino)-2-oxoethyl groups at positions 2 and 3, respectively. It is a selective nonpeptidic agonist of the somatostatin subtype-5 (SST5) receptor with Ki of 0.4 nM. ChEBI CHEBI:177199

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1980
      Peptide Receptors Tocris Bioscience 1980
      Potent and selective somatostatin sst5 receptor agonist. Ki values are 0.4, 3.3, 52, 64 and 82 nM for cloned human sst5, sst1, sst2, sst3 and sst4 receptors respectively. Inhibits growth hormone relea se from rat pituitary cells (EC50 = 3.1 nM) and insulin release from mouse pancreatic islets (EC50 = 0.3 nM) in vitro. Tocris Bioscience 1980
      Potent and selective somatostatin sst5 receptor agonist. Ki values are 0.4, 3.3, 52, 64 and 82 nM for cloned human sst5, sst1, sst2, sst3 and sst4 receptors respectively. Inhibits growth hormone release from rat pituitary cells (EC50 = 3.1 nM) and insulin release from mouse pancreatic islets (EC50 = 0.3 nM) in vitro. Tocris Bioscience 1980
      Potent and selective sst5 agonist Tocris Bioscience 1980
      Somatostatin Receptors Tocris Bioscience 1980

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

Density: 1.2±0.1 g/cm3
Boiling Point: 827.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 454.5±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 162.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 1.73
ACD/KOC (pH 7.4): 6.67
Polar Surface Area: 123 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 434.3±3.0 cm3

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