ChemSpider 2D Image | CC-223 | C21H27N5O3


  • Molecular FormulaC21H27N5O3
  • Average mass397.471 Da
  • Monoisotopic mass397.211395 Da
  • ChemSpider ID35308326
  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1228013-30-6 [RN]
7-[6-(2-Hydroxy-2-propanyl)-3-pyridinyl]-1-(trans-4-methoxycyclohexyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-on [German] [ACD/IUPAC Name]
7-[6-(2-Hydroxy-2-propanyl)-3-pyridinyl]-1-(trans-4-methoxycyclohexyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one [ACD/IUPAC Name]
7-[6-(2-Hydroxy-2-propanyl)-3-pyridinyl]-1-(trans-4-méthoxycyclohexyl)-3,4-dihydropyrazino[2,3-b]pyrazin-2(1H)-one [French] [ACD/IUPAC Name]
Pyrazino[2,3-b]pyrazin-2(1H)-one, 3,4-dihydro-7-[6-(1-hydroxy-1-methylethyl)-3-pyridinyl]-1-(trans-4-methoxycyclohexyl)- [ACD/Index Name]
1402453-64-8 [RN]

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      CC-223 is a potent mTOR kinase inhibitor (IC50=16 nM), with >150-fold sensitivity over the related lipid kinase PI3K? (IC50=4 ?M).; IC50 value:16 nM [2]; Target: mTOR; in vitro: CC-223 is a potent, selective, and orally bioavailable inhibitor of mTOR kinase, demonstrating inhibition of mTORC1 (pS6RP and p4EBP1) and mTORC2 [pAKT(S473)] in cellular systems. MedChem Express HY-16956
      mTOR MedChem Express HY-16956
      PI3K/Akt/mTOR MedChem Express HY-16956
      PI3K/Akt/mTOR; MedChem Express HY-16956

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

Density: 1.3±0.1 g/cm3
Boiling Point: 656.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 350.7±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 107.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.06
ACD/KOC (pH 5.5): 126.40
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.07
ACD/KOC (pH 7.4): 126.50
Polar Surface Area: 100 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 69.3±5.0 dyne/cm
Molar Volume: 301.5±5.0 cm3

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