ChemSpider 2D Image | 4-{[(1R,3S,7s)-5-Hydroxyadamantan-2-yl]amino}-1H-pyrrolo[2,3-b]pyridine-5-carboxamide | C18H22N4O2

4-{[(1R,3S,7s)-5-Hydroxyadamantan-2-yl]amino}-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

  • Molecular FormulaC18H22N4O2
  • Average mass326.393 Da
  • Monoisotopic mass326.174286 Da
  • ChemSpider ID57251280

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1H-Pyrrolo[2,3-b]pyridine-5-carboxamide, 4-[[(1R,3S)-5-hydroxytricyclo[3.3.1.13,7]dec-2-yl]amino]- [ACD/Index Name]
4-{[(1R,3S,7s)-5-Hydroxyadamantan-2-yl]amino}-1H-pyrrolo[2,3-b]pyridin-5-carboxamid [German] [ACD/IUPAC Name]
4-{[(1R,3S,7s)-5-Hydroxyadamantan-2-yl]amino}-1H-pyrrolo[2,3-b]pyridine-5-carboxamide [ACD/IUPAC Name]
4-{[(1R,3S,7s)-5-Hydroxyadamantan-2-yl]amino}-1H-pyrrolo[2,3-b]pyridine-5-carboxamide [French] [ACD/IUPAC Name]
944118-01-8 [RN]
ASP015K;JNJ-54781532;ASP-015K;ASP 015K;JNJ54781532;JNJ 54781532
  • Miscellaneous

    • Bio Activity:

      JAK MedChem Express HY-19568
      JAK/STAT Signaling; MedChem Express HY-19568
      Peficitinb (ASP015K, JNJ-54781532) is a novel oral Janus kinase (JAK) inhibitor. Peficitinib inhibits JAK1, JAK2, JAK3 and Tyk2 enzyme activities with IC50s of 3.9, 5.0, 0.71 and 4.8 nM, respectively, and has moderate selectivity for JAK3 inhibition.;IC50 value: 3.9/5.0/0.71 nM (for JAK1/2/3) , 4.8 nM (for Tyk2);Target: JAKPeficitinib (ASP015K) is a novel orally bioavailable JAK inhibitor in development for the treatment of severe rheumatoid arthritis (RA). Milder inhibition of JAK2 by Peficitinib may contribute to the mitigation of effects on red blood cells and platelets reported to be caused by JAK2 inhibition. Moreover, Peficitinib has shown an improvement in symptoms in RA animal models after once-daily oral administration, and has demonstrated dose-dependent improvement in psoriatic disease activities in a 6-week phase IIa study. The terminal mean half-life of Peficitinib was estimated to be 7-13 h in pharmacological studies with healthy subjects, suggesting that Peficitinib MedChem Express HY-19568

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.777
Molar Refractivity: 92.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 2.92
ACD/KOC (pH 5.5): 40.52
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.16
ACD/KOC (pH 7.4): 321.16
Polar Surface Area: 104 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 86.8±3.0 dyne/cm
Molar Volume: 220.5±3.0 cm3

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