ChemSpider 2D Image | BQ-123 | C31H42N6O7

BQ-123

  • Molecular FormulaC31H42N6O7
  • Average mass610.701 Da
  • Monoisotopic mass610.311523 Da
  • ChemSpider ID391535

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

BQ123
BQ-123 [Wiki]
Cyclo(D-α-asparagyl-L-prolyl-D-valyl-L-leucyl-D-tryptophyl) [German] [ACD/IUPAC Name]
Cyclo(D-α-aspartyl-L-prolyl-D-valyl-L-leucyl-D-tryptophyl) [ACD/Index Name] [ACD/IUPAC Name]
Cyclo(D-α-aspartyl-L-prolyl-D-valyl-L-leucyl-D-tryptophyl) [French] [ACD/Index Name] [ACD/IUPAC Name]
Cyclo[D-trp-D-asp-L-pro-D-val-L-leu]
MFCD00133204
S2A8YZM151
[(1S,4R,5R)-8-(1H-Indol-3-ylmethyl)-11-((S)-isobutyl)-14-((R)-isopropyl)-4,7,10,13,16-pentaoxo-hexadecahydro-3a,6,9,12,15-pentaaza-cyclopentacyclopentadecen-5-yl]-acetic acid
[(3R,6S,9R,12R,17AS)-9-(1H-INDOL-3-YLMETHYL)-3-ISOPROPYL-6-(2-METHYLPROPYL)-1,4,7,10,13-PENTAOXO-DODECAHYDROPYRROLO[1,2-A]1,4,7,10,13-PENTAAZACYCLOPENTADECAN-12-YL]ACETIC ACID
More...

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

C11587 [DBID]
  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      <p>BQ-123 is a potent and selective ET<sub>A</sub> antagonist (K<sub>i</sub> values are 17 nM and 11 &micro;M at ET<sub>A</sub> and ET<sub>B</sub> receptors respectively).</p> <p>Induces vasodilation. </p> Hello Bio HB3213
      <p>Potent, selective ET<sub>A</sub> antagonist </p> Hello Bio HB3213
      Proteins & peptides Hello Bio HB3213
      Receptors & Transporters/Peptide Receptors/Endothelin/ETA Hello Bio HB3213

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1053.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.6±3.0 kJ/mol
Flash Point: 591.0±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 161.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.97
ACD/LogD (pH 7.4): -2.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 458.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement