ChemSpider 2D Image | AZD-8055 | C25H31N5O4


  • Molecular FormulaC25H31N5O4
  • Average mass465.545 Da
  • Monoisotopic mass465.237610 Da
  • ChemSpider ID24747394
  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5-{2,4-Bis[(3S)-3-methyl-4-morpholinyl]pyrido[2,3-d]pyrimidin-7-yl}-2-methoxyphenyl)methanol [German] [ACD/IUPAC Name]
(5-{2,4-Bis[(3S)-3-methyl-4-morpholinyl]pyrido[2,3-d]pyrimidin-7-yl}-2-methoxyphenyl)methanol [ACD/IUPAC Name]
(5-{2,4-Bis[(3S)-3-méthyl-4-morpholinyl]pyrido[2,3-d]pyrimidin-7-yl}-2-méthoxyphényl)méthanol [French] [ACD/IUPAC Name]
1009298-09-2 [RN]
Benzenemethanol, 5-[2,4-bis[(3S)-3-methyl-4-morpholinyl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy- [ACD/Index Name]
(5-(2,4-Bis((S)-3-methylmorpholino)pyrido2, 3-dpyrimidin-7-yl)-2-methoxyphenyl)methanol

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1561
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1561
      IRRITANT Matrix Scientific 097953
      no pictogram Axon Medchem 1561
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1561
      Warning Axon Medchem 1561
    • Chemical Class:

      A pyridopyrimidine that is pyrido[2,3-<ital>d</ital>]pyrimidine which is substituted at positions 2 and 4 by (3<stereo>S</stereo>)-3-methylmorpholin-4-yl groups and at position 5 by a 3-(hydroxymethyl )-4-methoxyphenyl group. It is an mTOR complex 1/2 (mTORC1/2) dual inhibitor [mTOR = mammalian target of rapamycin]. ChEBI CHEBI:91329
    • Bio Activity:

      AZD8055 is a novel ATP-competitive mTOR inhibitor with IC50 of 0.8 nM with excellent selectivity (?1,000-fold) against PI3K isoforms and ATM/DNA-PK. MedChem Express HY-10422
      mTOR MedChem Express HY-10422
      PI3K/Akt/mTOR MedChem Express HY-10422
      PI3K/Akt/mTOR ; MedChem Express HY-10422

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

Density: 1.2±0.1 g/cm3
Boiling Point: 694.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 373.7±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 129.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 33.10
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.42
ACD/KOC (pH 7.4): 115.55
Polar Surface Area: 93 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 372.9±3.0 cm3

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