ChemSpider 2D Image | Sapanisertib | C15H15N7O

Sapanisertib

  • Molecular FormulaC15H15N7O
  • Average mass309.326 Da
  • Monoisotopic mass309.133820 Da
  • ChemSpider ID28189069

More details:






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

10034
1224844-38-5 [RN]
2-Benzoxazolamine, 5-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]- [ACD/Index Name]
3-(2-Amino-1,3-benzoxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
3-(2-Amino-1,3-benzoxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
3-(2-Amino-1,3-benzoxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
JGH0DF1U03
MLN-0128
sapanisertib [Spanish] [INN]
sapanisertib [French] [INN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2142
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2142
      no pictogram Axon Medchem 2142
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2142
      Warning Axon Medchem 2142
    • Target Organs:

      mTOR inhibitor TargetMol T1838
    • Bio Activity:

      INK 128 is a potent and selective mTOR inhibitor with IC50 of 1 nM; MedChem Express http://www.medchemexpress.com/Evacetrapib.html
      INK 128 is a potent and selective mTOR inhibitor with IC50 of 1 nM; >200-fold less potent to class I PI3K isoforms.; IC50 value: 1 nM [1]; Target: mTOR; in vitro: INK 128 exhibits an enzymatic inhibition activity against mTOR and more than 100-fold selectivity to PI3K kinases [1]. MedChem Express HY-13328
      INK 128 is a potent and selective mTOR inhibitor with IC50 of 1 nM; >200-fold less potent to class I PI3K isoforms.;IC50 value: 1 nM [1];Target: mTOR;In vitro: INK 128 exhibits an enzymatic inhibition activity against mTOR and more than 100-fold selectivity to PI3K kinases [1]. As TORC1/2 inhibitor, INK 128 inhibits both the phosphorylation of S6 and 4EBP1, the downstream substrates of TORC1, and selectively inhibits AKT phosphorylation at Ser473, the downstream substrate of TORC2. Furthermore, INK 128 also shows potent inhibition effects on cell lines resistant to rapamycin and pan-PI3K inhibitors [2].;In vivo: In a ZR-75-1 breast cancer xenograft model, INK 128 shows tumor growth inhibition efficacy at a dose of 0.3 mg/kg/day. [1] Daily, oral administration of INK 128 inhibits angiogenesis and tumor growth in multiplexenograft models [2]. MedChem Express HY-13328
      mTOR MedChem Express HY-13328
      mTOR TargetMol T1838
      PI3K/Akt/mTOR MedChem Express HY-13328
      PI3K/Akt/mTOR ; MedChem Express HY-13328
      PI3K/Akt/mTOR Signaling TargetMol T1838

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

Density: 1.6±0.1 g/cm3
Boiling Point: 598.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 315.9±32.9 °C
Index of Refraction: 1.829
Molar Refractivity: 82.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.52
ACD/KOC (pH 5.5): 198.75
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.80
ACD/KOC (pH 7.4): 203.64
Polar Surface Area: 122 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 71.2±7.0 dyne/cm
Molar Volume: 188.0±7.0 cm3

Click to predict properties on the Chemicalize site






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