ChemSpider 2D Image | (2R)-2-{[6-(Benzylamino)-9-propyl-9H-purin-2-yl]amino}-1-butanol | C19H26N6O

(2R)-2-{[6-(Benzylamino)-9-propyl-9H-purin-2-yl]amino}-1-butanol

  • Molecular FormulaC19H26N6O
  • Average mass354.449 Da
  • Monoisotopic mass354.216797 Da
  • ChemSpider ID28644989

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-{[6-(Benzylamino)-9-propyl-9H-purin-2-yl]amino}-1-butanol [German] [ACD/IUPAC Name]
(2R)-2-{[6-(Benzylamino)-9-propyl-9H-purin-2-yl]amino}-1-butanol [ACD/IUPAC Name]
(2R)-2-{[6-(Benzylamino)-9-propyl-9H-purin-2-yl]amino}-1-butanol [French] [ACD/IUPAC Name]
1-Butanol, 2-[[6-[(phenylmethyl)amino]-9-propyl-9H-purin-2-yl]amino]-, (2R)- [ACD/Index Name]
(2R)?-2-?[[6-?[(phenylmethyl)?amino]?-?9-?propyl-?9H-?purin-?2-?yl]?amino]?-?1-?Butanol
(2R)-2-({9-(METHYLETHYL)-6-[BENZYLAMINO]PURIN-2-YL}AMINO)BUTAN-1-OL
1402821-24-2 [RN]
3-Benzylfuran-2-carboxylic acid
Ca2+ channel agonist 1
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Ca2+ channel agonist 1 is a N-type Ca2+ channel activity agonist, with EC50 of 14.23 uM, also inhibits cdk2 kinase activity with EC50 of 3.34 uM.; IC50 value: 14.23 uM (EC50, Ca2+ channel) 3.34 uM (EC50, cdk2); Target: Calcium Channel, CDK MedChem Express HY-41076
      Ca2+ channel agonist 1 is a N-type Ca2+ channel activity agonist, with EC50 of 14.23 uM, also inhibits cdk2 kinase activity with EC50 of 3.34 uM.;IC50 value: 14.23 uM (EC50, Ca2+ channel) 3.34 uM (EC50, cdk2);Target: Calcium Channel, CDK MedChem Express HY-41076
      Calcium Channel CDK MedChem Express HY-41076
      CDK MedChem Express HY-41076
      Cell Cycle/DNA Damage MedChem Express HY-41076
      Cell Cycle/DNA Damage; Membrane Tranporter/Ion Channel; MedChem Express HY-41076

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

Density: 1.3±0.1 g/cm3
Boiling Point: 588.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 309.7±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 102.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 375.80
ACD/KOC (pH 5.5): 2306.34
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 447.42
ACD/KOC (pH 7.4): 2745.89
Polar Surface Area: 88 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 282.7±7.0 cm3

Click to predict properties on the Chemicalize site


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