ChemSpider 2D Image | Filanesib | C20H22F2N4O2S


  • Molecular FormulaC20H22F2N4O2S
  • Average mass420.476 Da
  • Monoisotopic mass420.143158 Da
  • ChemSpider ID25069697
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(3-Aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3(2H)-carboxamide [ACD/IUPAC Name]
(2S)-2-(3-Aminopropyl)-5-(2,5-difluorophényl)-N-méthoxy-N-méthyl-2-phényl-1,3,4-thiadiazole-3(2H)-carboxamide [French] [ACD/IUPAC Name]
(2S)-2-(3-Aminopropyl)-5-(2,5-difluorphenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazol-3(2H)-carboxamid [German] [ACD/IUPAC Name]
1,3,4-Thiadiazole-3(2H)-carboxamide, 2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-, (2S)- [ACD/Index Name]
885060-09-3 [RN]
Filanesib [Spanish] [INN]
Filanésib [French] [INN]
Filanesibum [Latin] [INN]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-43039]
    • Safety:

      20/21/22 Novochemy [NC-43039]
      20/21/36/37/39 Novochemy [NC-43039]
      GHS07; GHS09 Novochemy [NC-43039]
      H332; H403 Novochemy [NC-43039]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-43039]
      Warning Novochemy [NC-43039]
      Xn Novochemy [NC-43039]
    • Bio Activity:

      ARRY-520 is a synthetic, small molecule kinesin spindle protein (KSP) inhibitor with IC50 of 6 nM. MedChem Express, HY-15187
      ARRY-520 is a synthetic, small molecule kinesin spindle protein (KSP) inhibitor with IC50 of 6 nM. ;IC50 Value: 6 nM;Target: KspARRY-520 had low nanomolar antiproliferative activity in tumor cell lines. KSP inhibitor ARRY-520 specifically inhibits KSP (kinesin-5 or Eg5), resulting in activation of the spindle assembly checkpoint, induction of cell cycle arrest during the mitotic phase, and consequently cell death in tumor cells that are actively dividing. Because KSP is not involved in postmitotic processes, such as neuronal transport, this agent does not cause the peripheral neuropathy that is often associated with tubulin-targeting agents. KSP is an ATP-dependent microtubule motor protein that is essential for the formation of bipolar spindles and the proper segregation of sister chromatids during mitosis. MedChem Express HY-15187
      Cell Cycle/DNA Damage MedChem Express HY-15187
      Cell Cycle/DNA Damage; MedChem Express HY-15187
      Ksp MedChem Express HY-15187

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

Density: 1.3±0.1 g/cm3
Boiling Point: 511.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 263.0±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 109.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.66
Polar Surface Area: 96 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 319.6±7.0 cm3

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