ChemSpider 2D Image | BIIE 0246 | C49H57N11O6

BIIE 0246

  • Molecular FormulaC49H57N11O6
  • Average mass896.047 Da
  • Monoisotopic mass895.449341 Da
  • ChemSpider ID7987248

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

246146-55-4 [RN]
BIIE 0246 [Wiki]
BIIE-0246
Cyclopentaneacetamide, N-[(1S)-4-[(aminoiminomethyl)amino]-1-[[[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]amino]carbonyl]butyl]-1-[2-[4-(6,11-dihydro-6-oxo-5H-dibenz[b,e]azepin-11-yl)-1-p iperazinyl]-2-oxoethyl]- [ACD/Index Name]
N-[(1S)-4-[(Aminoiminomethyl)amino]-1-[[[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]amino]carbonyl]butyl]-1-[2-[4-(6,11-dihydro-6-oxo-5H-dibenz[b,e]azepin-11-yl)-1-piperazinyl]-2-oxoethyl]cyclopentaneacetamide
N-[2-(3,5-Dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]-N2-[(1-{2-oxo-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl)-1-piperazinyl]ethyl}cyclopentyl)acetyl]-L-argininamid [German] [ACD/IUPAC Name]
N-[2-(3,5-Dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]-N2-[(1-{2-oxo-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-11-yl)-1-piperazinyl]ethyl}cyclopentyl)acetyl]-L-argininamide [ACD/IUPAC Name]
N-[2-(3,5-Dioxo-1,2-diphényl-1,2,4-triazolidin-4-yl)éthyl]-N2-[2-(1-{2-oxo-2-[4-(6-oxo-6,11-dihydro-5H-dibenzo[b,e]azépin-11-yl)-1-pipérazinyl]éthyl}cyclopentyl)acétyl]-L-argininamide [French] [ACD/IUPAC Name]
N3Z657H81X
UNII:N3Z657H81X
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1700
      NPY Receptors Tocris Bioscience 1700
      Peptide Receptors Tocris Bioscience 1700
      Potent, selective and competitive non-peptide antagonist for the neuropeptide Y Y2 receptor (IC50 = 15 nM). Displays > 650-fold selectivity over Y1, Y4 and Y5 receptors. Active in vivo. Tocris Bioscience 1700
      Potent, selective non-peptide NPY Y2 receptor antagonist Tocris Bioscience 1700

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.700
Molar Refractivity: 249.5±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.94
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.80
Polar Surface Area: 217 Å2
Polarizability: 98.9±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 645.6±7.0 cm3

Click to predict properties on the Chemicalize site


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