ChemSpider 2D Image | 2-Amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one | C22H27N5O4

2-Amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one

  • Molecular FormulaC22H27N5O4
  • Average mass425.481 Da
  • Monoisotopic mass425.206299 Da
  • ChemSpider ID24774910
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1013101-36-4 [RN]
2-Amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-on [German] [ACD/IUPAC Name]
2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methyl-pyrido[2,3-d]pyrimidin-7(8H)-one
2-Amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one [ACD/IUPAC Name]
2-Amino-8-[trans-4-(2-hydroxyéthoxy)cyclohexyl]-6-(6-méthoxy-3-pyridinyl)-4-méthylpyrido[2,3-d]pyrimidin-7(8H)-one [French] [ACD/IUPAC Name]
2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
Pyrido[2,3-d]pyrimidin-7(8H)-one, 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methyl- [ACD/Index Name]
2-amino-6-(6-methoxypyridin-3-yl)-4-methyl-8-[(1r,4r)-4-(2-hydroxyethoxy)cyclohexyl]-7H,8H-pyrido[2,3-d]pyrimidin-7-one
2-amino-8-((1r,4r)-4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
Chemistry 8009
More...

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

4W39NS61KI [DBID]
PF04691502 [DBID]
PF-04691502 [DBID]
PF-4691502 [DBID]
CCRIS 4693 [DBID]
PF 04691502 [DBID]
PubChem Substance ID 329825761 [DBID]
UNII:4W39NS61KI [DBID]
UNII-4W39NS61KI [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1855
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1855
      no pictogram Axon Medchem 1855
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1855
      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 4820
      Warning Axon Medchem 1855
    • Bio Activity:

      Enzymes Tocris Bioscience 4820
      Kinases Tocris Bioscience 4820
      mTOR MedChem Express HY-15177
      mTOR PI3K MedChem Express HY-15177
      PF-04691502 is an ATP-competitive PI3K(?/?/?/?)/mTOR dual inhibitor with Ki of 1.8 nM/2.1 nM/1.6 nM/1.9 nM and 16 nM, little activity against either Vps34, AKT, PDK1, p70S6K, MEK, ERK, p38, or JNK.; IC50 value: 1.8 nM/2.1 nM/1.6 nM/1.9 nM(PI3K?/?/?/?); 16 nM(mTOR); Target: PI3K/mTOR; PF-04691502 is an ATP-competitive PI3K/mTOR dual inhibitor with IC50 of 32 nM. MedChem Express HY-15177
      PI 3-Kinase Tocris Bioscience 4820
      PI3K/Akt/mTOR MedChem Express HY-15177
      PI3K/Akt/mTOR; MedChem Express HY-15177
      Potent and selective dual ATP-competitive PI 3-K/mTOR inhibitor (Ki values are 1.6, 1.8, 1.9, 2.1 and 16 nM for human PI 3-K ?, ?, ?, ?, and mTOR, respectively). Displays no significant inhibitory act ivity at more than 80 protein kinases (concentration ? 10 ?M) including hVps34, PI 3-K downstream kinases, and MAPK family members. Orally available. Induces robust cell cycle arrest at the G1 phase i n U87MG cancer cells and antitumor activity in SKOV3 ovarian cancer xenograft models. Tocris Bioscience 4820
      Potent and selective dual ATP-competitive PI 3-K/mTOR inhibitor (Ki values are 1.6, 1.8, 1.9, 2.1 and 16 nM for human PI 3-K ?, ?, ?, ?, and mTOR, respectively). Displays no significant inhibitory activity at more than 80 protein kinases (concentration ? 10 ?M) including hVps34, PI 3-K downstream kinases, and MAPK family members. Orally available. Induces robust cell cycle arrest at the G1 phase in U87MG cancer cells and antitumor activity in SKOV3 ovarian cancer xenograft models. Tocris Bioscience 4820
      Potent and selective dual ATP-competitive PI 3-K/mTOR inhibitor (Ki values are 1.6, 1.8, 1.9, 2.1 and 16 nM for human PI 3-K delta, alpha, gamma, beta, and mTOR, respectively). Displays no significant inhibitory activity at more than 80 protein kinases (concentration greater than or equal to 10 muM) including hVps34, PI 3-K downstream kinases, and MAPK family members. Orally available. Induces robust cell cycle arrest at the G1 phase in U87MG cancer cells and antitumor activity in SKOV3 ovarian cancer xenograft models. Tocris Bioscience 4820
      Potent and selective dual PI 3-K/mTOR inhibitor Tocris Bioscience 4820

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 682.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.5±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 6.73
ACD/KOC (pH 5.5): 119.92
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.48
ACD/KOC (pH 7.4): 186.66
Polar Surface Area: 124 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 74.8±5.0 dyne/cm
Molar Volume: 312.0±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement