ChemSpider 2D Image | PP121 | C17H17N7

PP121

  • Molecular FormulaC17H17N7
  • Average mass319.364 Da
  • Monoisotopic mass319.154541 Da
  • ChemSpider ID21865813

More details:

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

1092788-83-4 [RN]
1-Cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
1-Cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
1-Cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
1-cyclopentyl-3-{1H-pyrrolo[2,3-b]pyridin-5-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
1-cyclopentyl-3-{1H-pyrrolo[2,3-b]pyridin-5-yl}pyrazolo[3,4-d]pyrimidin-4-amine
5B9VB06146
MFCD12912434 [MDL number]
PP121
PP-121
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      PDGFR inhibitor;DNA-PK inhibitor;mTOR inhibitor TargetMol T2415

    • Chemical Class:

      A pyrazolopyrimidine that is 1H-pyrazolo[3,4-d]pyrimidine which is substituted by a cyclopentyl, 1H-pyrrolo[2,3-b]pyridin-5-yl, and amino groups at positions 1, 3 and 4, respectively. It is a dual inh ibitor of tyrosine and phosphoinositide kinases and exhibits anti-cancer properties. ChEBI CHEBI:50915

    • Bio Activity:

      DGFR, Hck, mTOR, VEGFR2, Src, Abl,DNA-PK TargetMol T2415
      Dual inhibitor of receptor tyrosine kinases (RTKs) (IC50 < 0.02 ?M for Abl, Src, VEGFR-2 and PDGFR) and PI 3-K family kinases (IC50 < 0.06 ?M for p110?, DNA-PK and mTOR). Exhibits no significant effec t on receptor serine/threonine kinases (RSTKs). Blocks the proliferation of tumor cells by direct inhibition of PI 3-K, mTOR, Src and the VEGF receptor. Tocris Bioscience 3894
      Dual inhibitor of receptor tyrosine kinases (RTKs) (IC50 < 0.02 ?M for Abl, Src, VEGFR-2 and PDGFR) and PI 3-K family kinases (IC50 < 0.06 ?M for p110?, DNA-PK and mTOR). Exhibits no significant effect on receptor serine/threonine kinases (RSTKs). Blocks the proliferation of tumor cells by direct inhibition of PI 3-K, mTOR, Src and the VEGF receptor. Tocris Bioscience 3894
      Dual inhibitor of receptor tyrosine kinases (RTKs) (IC50 < 0.02 muM for Abl, Src, VEGFR-2 and PDGFR) and PI 3-K family kinases (IC50 < 0.06 muM for p110alpha, DNA-PK and mTOR). Exhibits no significant effect on receptor serine/threonine kinases (RSTKs). Blocks the proliferation of tumor cells by direct inhibition of PI 3-K, mTOR, Src and the VEGF receptor. Tocris Bioscience 3894
      Dual kinase inhibitor; inhibits PI 3-K family kinases Tocris Bioscience 3894
      Enzymes Tocris Bioscience 3894
      Kinases Tocris Bioscience 3894
      mTOR MedChem Express HY-10372
      mTOR PDGFR VEGFR MedChem Express HY-10372
      PI 3-Kinase Tocris Bioscience 3894
      PI3K/Akt/mTOR MedChem Express HY-10372
      PI3K/Akt/mTOR; Protein Tyrosine Kinase/RTK; MedChem Express HY-10372
      PP-121 is a multi-targeted inhibitor of PDGFR, Hck, mTOR, VEGFR2, Src and Abl with IC50 of 2 nM, 8 nM, 10 nM, 12 nM, 14 nM and 18 nM, also inhibits DNA-PK with IC50 of 60 nM.; IC50 value: 2/8/10/12/14/18 nM (PDGFR/Hck/mTOR/VEGFR/Src/Abl) [1]; Target: PDGFR/Hck/mTOR/VEGFR/Src/Abl; PP-121 selectivity interacts within a hydrophobic pocket that is conserved between both tyrosine kinases and PI3Ks, not serine-threonine kinases. MedChem Express HY-10372
      Tyrosine Kinase/Adaptors TargetMol T2415

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

Density: 1.6±0.1 g/cm3
Boiling Point: 650.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.4±30.1 °C
Index of Refraction: 1.881
Molar Refractivity: 89.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 22.90
ACD/KOC (pH 5.5): 324.03
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.72
ACD/KOC (pH 7.4): 335.67
Polar Surface Area: 98 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 76.9±7.0 dyne/cm
Molar Volume: 194.8±7.0 cm3

Click to predict properties on the Chemicalize site


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