ChemSpider 2D Image | IRL-1620 | C86H117N17O27

IRL-1620

  • Molecular FormulaC86H117N17O27
  • Average mass1820.947 Da
  • Monoisotopic mass1819.830444 Da
  • ChemSpider ID17287647

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

142569-99-1 [RN]
IRL-1620
L-Tryptophan, N-(3-carboxy-1-oxopropyl)-L-α-aspartyl-L-α-glutamyl-L-α-glutamyl-L-alanyl-L-valyl-L-tyrosyl-L-phenylalanyl-L-alanyl-L-histidyl-L-leucyl-L-α-aspartyl-L-isoleucyl-L-isoleuc 
yl- [ACD/Index Name]
N-(3-Carboxypropanoyl)-L-α-asparagyl-L-α-glutamyl-L-α-glutamyl-L-alanyl-L-valyl-L-tyrosyl-L-phenylalanyl-L-alanyl-L-histidyl-L-leucyl-L-α-asparagyl-L-isoleucyl-L-isoleucyl-L-tryptophan [German] [ACD/IUPAC Name]
N-(3-Carboxypropanoyl)-L-α-aspartyl-L-α-glutamyl-L-α-glutamyl-L-alanyl-L-valyl-L-tyrosyl-L-phenylalanyl-L-alanyl-L-histidyl-L-leucyl-L-α-aspartyl-L-isoleucyl-L-isoleucyl-L-tryptophan [ACD/IUPAC Name]
N-(3-Carboxypropanoyl)-L-α-aspartyl-L-α-glutamyl-L-α-glutamyl-L-alanyl-L-valyl-L-tyrosyl-L-phénylalanyl-L-alanyl-L-histidyl-L-leucyl-L-α-aspartyl-L-isoleucyl-L-isoleucyl-L-tryptophane [French] [ACD/IUPAC Name]
[125I]IRL 1620
[125I]IRL1620
[125I]-IRL1620
[¹²⁵I]IRL1620
More...
  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      <p><strong><span style=text-decoration: underline;>Overview</span></strong></p> <p>IRL-1620 is a synthetic analog of endothelin-1. It is a highly selective ET<sub>B</sub> receptor agonist (K<sub>i</sub> values are 16 pM and 1.9 &micro;M at ET<sub>B</sub> and ET<sub>A</sub> receptors respectively). <p style=margin-bottom: 2em;>IRL1620 is ~60 times more selective for the ET<sub>B</sub> receptor than Endothelin-3.</p> <p><strong><span style=text-decoration: underline;>Uses &amp; applications </span></strong></p> <p>IRL-1620 causes vasodilation by inducing nitric oxide (NO) release and has been shown to increase effectiveness of paclitaxel in breast cancer animal models. It may also have neuroprotective effects.</p> Hello Bio [HB3411]
      <p>Highly selective ET<sub>B</sub> agonist</p> Hello Bio [HB3411]
      7-TM Receptors Tocris Bioscience 1196
      Endothelin Receptors Tocris Bioscience 1196
      Highly selective ETB agonist Tocris Bioscience 1196
      Highly selective ETB endothelin receptor agonist (Ki values are 0.016 and 1900 nM at ETB and ETA receptors respectively). Discriminates two subpopulations of ETB receptors. Tocris Bioscience 1196
      Peptide Receptors Tocris Bioscience 1196
      Proteins & peptides Hello Bio [HB3411]
      Receptors & Transporters/Peptide Receptors/Endothelin/ETB Hello Bio [HB3411]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 2096.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 371.3±3.0 kJ/mol
Flash Point: 1221.8±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 457.9±0.3 cm3
#H bond acceptors: 44
#H bond donors: 23
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 3
ACD/LogP: 4.15
ACD/LogD (pH 5.5): -5.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 696 Å2
Polarizability: 181.5±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 1351.3±3.0 cm3

Click to predict properties on the Chemicalize site


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