ChemSpider 2D Image | VS-5584 | C17H22N8O

VS-5584

  • Molecular FormulaC17H22N8O
  • Average mass354.410 Da
  • Monoisotopic mass354.191650 Da
  • ChemSpider ID30922943

More details:

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

1246560-33-7 [RN]
2-Pyrimidinamine, 5-[8-methyl-9-(1-methylethyl)-2-(4-morpholinyl)-9H-purin-6-yl]- [ACD/Index Name]
5-[8-Methyl-2-(morpholin-4-yl)-9-(propan-2-yl)-9H-purin-6-yl]pyrimidin-2-amine
5-[9-Isopropyl-8-methyl-2-(4-morpholinyl)-9H-purin-6-yl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-[9-Isopropyl-8-methyl-2-(4-morpholinyl)-9H-purin-6-yl]-2-pyrimidinamine [ACD/IUPAC Name]
5-[9-Isopropyl-8-méthyl-2-(4-morpholinyl)-9H-purin-6-yl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
5-[9-ISOPROPYL-8-METHYL-2-(MORPHOLIN-4-YL)PURIN-6-YL]PYRIMIDIN-2-AMINE
VS-5584
[1246560-33-7] [RN]
1246529-32-7 [RN]
More...

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

W71J4X250V [DBID]
UNII:W71J4X250V [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      PI3K MedChem Express HY-16585
      PI3K/Akt/mTOR MedChem Express HY-16585
      PI3K/Akt/mTOR; MedChem Express HY-16585
      VS-5584 (SB2343) is a potent and selective dual PI3K/mTOR inhibitor for mTOR, PI3K?/?/?/? with IC50 of 3.4 nM and 2.6-21 nM, respectively.; IC50 value: 3.4 nM/2.6 nM/3.3 nM/21 nM/2.7 nM/3.0 nM (mTOR/PI3K?/PI3K?-H1047/PI3K?/PI3K?/PI3K?) [1]; Target: mTOR/PI3K; in vitro: VS-5584 is an ATP-competitive inhibitor which selectively inhibits PI3K/mTOR signaling with equivalent low nanomolar potency against all human Class I PI3K isoforms and mTOR kinase. MedChem Express HY-16585

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

Density: 1.5±0.1 g/cm3
Boiling Point: 687.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.4±34.3 °C
Index of Refraction: 1.747
Molar Refractivity: 96.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.12
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.39
ACD/KOC (pH 5.5): 78.62
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.16
ACD/KOC (pH 7.4): 96.56
Polar Surface Area: 108 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 237.9±7.0 cm3

Click to predict properties on the Chemicalize site


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