ChemSpider 2D Image | Apitolisib | C23H30N8O3S

Apitolisib

  • Molecular FormulaC23H30N8O3S
  • Average mass498.601 Da
  • Monoisotopic mass498.216156 Da
  • ChemSpider ID26325996
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-1-(4-{[2-(2-Amino-5-pyrimidinyl)-7-methyl-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl}-1-piperazinyl)-2-hydroxy-1-propanon [German] [ACD/IUPAC Name]
(2S)-1-(4-{[2-(2-Amino-5-pyrimidinyl)-7-methyl-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl}-1-piperazinyl)-2-hydroxy-1-propanone [ACD/IUPAC Name]
(2S)-1-(4-{[2-(2-Amino-5-pyrimidinyl)-7-méthyl-4-(4-morpholinyl)thiéno[3,2-d]pyrimidin-6-yl]méthyl}-1-pipérazinyl)-2-hydroxy-1-propanone [French] [ACD/IUPAC Name]
1032754-93-0 [RN]
1C854K1MIJ
1-Propanone, 1-[4-[[2-(2-amino-5-pyrimidinyl)-7-methyl-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1-piperazinyl]-2-hydroxy-, (2S)- [ACD/Index Name]
9644
apitolisib [French] [INN]
apitolisib [Spanish] [INN]
Apitolisib [INN] [USAN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1782
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1782
      no pictogram Axon Medchem 1782
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1782
      Warning Axon Medchem 1782
    • Bio Activity:

      GDC-0980 (RG7422) is a potent, class I PI3K inhibitor for PI3K?/?/?/? with IC50 of 5 nM/27 nM/7 nM/14 nM, respectively; also a mTOR inhibitor with Ki of 17 nM, and highly selective versus others PIKK family kinases.; IC50 value: 5 nM/27 nM/7 nM/14 nM(PI3K?/?/?/?); 17 nM (Ki, mTOR) [1]; Target: PI3K?/?/?/?? mTOR; in vitro: GDC-0980 shows the potent and selective inhibitory activities against class I PI3K and mTOR kinase versus a large panel of kinases with Ki of 17 nM for mTOR and IC50 of 5 nM, 27 nM, 7 nM, and 14 nM for PI3K?, ?, ?, and ?, respectively [1]. MedChem Express HY-13246
      mTOR MedChem Express HY-13246
      mTOR PI3K MedChem Express HY-13246
      PI3K/Akt/mTOR MedChem Express HY-13246
      PI3K/Akt/mTOR ; MedChem Express HY-13246

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

Density: 1.4±0.1 g/cm3
Boiling Point: 718.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 388.4±35.7 °C
Index of Refraction: 1.677
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.54
ACD/KOC (pH 5.5): 43.18
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.14
ACD/KOC (pH 7.4): 59.79
Polar Surface Area: 162 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 76.5±3.0 dyne/cm
Molar Volume: 356.2±3.0 cm3

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