ChemSpider 2D Image | Piclidenoson | C18H19IN6O4

Piclidenoson

  • Molecular FormulaC18H19IN6O4
  • Average mass510.286 Da
  • Monoisotopic mass510.051239 Da
  • ChemSpider ID110259

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-{[(3-iodophenyl)methyl]amino}-9H-purin-9-yl)-N-methyloxolane-2-carboxamide
(2S,3S,4R,5R)-3,4-Dihydroxy-5-{6-[(3-iodbenzyl)amino]-9H-purin-9-yl}-N-methyltetrahydro-2-furancarboxamid [German] [ACD/IUPAC Name]
(2S,3S,4R,5R)-3,4-Dihydroxy-5-{6-[(3-iodobenzyl)amino]-9H-purin-9-yl}-N-methyltetrahydro-2-furancarboxamide [ACD/IUPAC Name]
(2S,3S,4R,5R)-3,4-Dihydroxy-5-{6-[(3-iodobenzyl)amino]-9H-purin-9-yl}-N-méthyltétrahydro-2-furanecarboxamide [French] [ACD/IUPAC Name]
(2S,3S,4R,5R)-3,4-Dihydroxy-5-{6-[(3-iodobenzyl)amino]-9H-purin-9-yl}-N-methyltetrahydrofuran-2-carboxamide (non-preferred name)
152918-18-8 [RN]
1-Deoxy-1-[6-[((3-Iodophenyl)methyl)amino]-9H-purin-9-yl]-N-methyl-β-D-ribofuranuronamide
30679UMI0N
3-IB-Meca
CF101
More...

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

10136 [DBID]
CF 101 [DBID]
CF-101 [DBID]
I146_SIGMA [DBID]
RPR-113090 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold with the permission of the NIH, US Patent 08/091,109 Tocris Bioscience 1066

    • Chemical Class:

      A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by <element>N</element>-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodobe nzyl group. ChEBI CHEBI:73286
      A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodobenzyl group. ChEBI CHEBI:73286

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1066
      A3 selective agonist Tocris Bioscience 1066
      Adenosine A3 Receptors Tocris Bioscience 1066
      Adenosine Receptor MedChem Express HY-13591
      Adenosine Receptors Tocris Bioscience 1066
      GPCR/G protein MedChem Express HY-13591
      GPCR/G protein; MedChem Express HY-13591
      IB-MECA is an agonist of the adenosine A3 receptor with EC50 values of 0.11 ?M. MedChem Express HY-13591
      Potent and selective A3 adenosine receptor agonist (Ki values are 1.1, 54 and 56 nM for A3, A1 and A2A receptors respectively). Cardioprotective, reduces infarct size upon reperfusion in rats. Tocris Bioscience 1066

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: 1.808
Molar Refractivity: 110.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.18
ACD/KOC (pH 5.5): 195.63
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.24
ACD/KOC (pH 7.4): 196.68
Polar Surface Area: 134 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 73.6±7.0 dyne/cm
Molar Volume: 257.6±7.0 cm3

Click to predict properties on the Chemicalize site


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