ChemSpider 2D Image | namodenoson | C18H18ClIN6O4

namodenoson

  • Molecular FormulaC18H18ClIN6O4
  • Average mass544.731 Da
  • Monoisotopic mass544.012268 Da
  • ChemSpider ID2299989

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide
(2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl]amino}purin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide
(2S,3S,4R,5R)-5-{2-Chlor-6-[(3-iodbenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-methyltetrahydro-2-furancarboxamid (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-{2-Chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-methyltetrahydro-2-furancarboxamide (non-preferred name) [ACD/IUPAC Name]
(2S,3S,4R,5R)-5-{2-Chloro-6-[(3-iodobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-méthyltétrahydro-2-furanecarboxamide (non-preferred name) [French] [ACD/IUPAC Name]
163042-96-4 [RN]
2-Chloro-N6-(3-iodobenzyl)-adenosine-5'-N-methyluronamide
2-Cl-IB-MECA
CF-102
Chloro-IB-MECA
More...

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

10651 [DBID]
C277_SIGMA [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold with the permission of the NIH, US Patent 08/091,109 Tocris Bioscience 1104

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1104
      Adenosine A3 Receptors Tocris Bioscience 1104
      Adenosine Receptors Tocris Bioscience 1104
      High affinity and extremely selective A3 adenosine receptor agonist (Ki = 0.33 nM). Displays 2500- and 1400-fold selectivity over A1 and A2A receptors respectively. Exhibits high selectivity over the Na+-independent adenosine transporter. Tocris Bioscience 1104
      High affinity and extremely selective A3 adenosine receptor agonist (Ki = 0.33 nM). Displays 2500- and 1400-fold selectivity over A1 and A2A receptors respectively. Exhibits high selectivity over the Na+-independent adenosine transporter. Tocris Bioscience 1104
      Highly selective A3 agonist Tocris Bioscience 1104

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.814
Molar Refractivity: 115.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.90
ACD/KOC (pH 5.5): 460.54
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.90
ACD/KOC (pH 7.4): 460.54
Polar Surface Area: 134 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 74.3±7.0 dyne/cm
Molar Volume: 266.8±7.0 cm3

Click to predict properties on the Chemicalize site


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