ChemSpider 2D Image | AZD 8055 | C25H31N5O4

AZD 8055

  • 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]
(5-{2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl}-2-methoxyphenyl)methanol
1009298-09-2 [RN]
5-[2,4-Bis[(3S)-3-methyl-4-morpholinyl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxybenzenemethanol
AZD 8055
AZD-8055
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)pyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl)methanol
More...

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

970JJ37FPW [DBID]
UNII:970JJ37FPW [DBID]
UNII-970JJ37FPW [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • 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
      A pyridopyrimidine that is pyrido[2,3-d]pyrimidine which is substituted at positions 2 and 4 by (3S)-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, version: 14.00

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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