ChemSpider 2D Image | MRS-1706 | C27H29N5O5


  • Molecular FormulaC27H29N5O5
  • Average mass503.550 Da
  • Monoisotopic mass503.216858 Da
  • ChemSpider ID4313008

More details:

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

264622-53-9 [RN]
Acetamide, N-(4-acetylphenyl)-2-[4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]- [ACD/Index Name]
MRS-1706 [Wiki]
N-(4-Acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamid [German] [ACD/IUPAC Name]
N-(4-Acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetamide [ACD/IUPAC Name]
N-(4-Acétylphényl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tétrahydro-1H-purin-8-yl)phénoxy]acétamide [French] [ACD/IUPAC Name]

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

MRS 1706 [DBID]
NCGC00025221-01 [DBID]
Tocris-1584 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      Manufactured and sold under license from Adenosine Therapeutics, LLC Tocris Bioscience 1584
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1584
      Adenosine A2B Receptors Tocris Bioscience 1584
      Adenosine Receptors Tocris Bioscience 1584
      Potent and selective A2B inverse agonist Tocris Bioscience 1584
      Potent and selective adenosine A2B receptor inverse agonist (Ki values are 1.39, 157, 112 and 230 nM for human A2B, A1, A2A and A3 receptors respectively). Tocris Bioscience 1584

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 136.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 811.78
ACD/KOC (pH 5.5): 4206.12
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 690.71
ACD/KOC (pH 7.4): 3578.80
Polar Surface Area: 125 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 389.4±3.0 cm3

Click to predict properties on the Chemicalize site