ChemSpider 2D Image | apalutamide | C21H15F4N5O2S

apalutamide

  • Molecular FormulaC21H15F4N5O2S
  • Average mass477.435 Da
  • Monoisotopic mass477.088257 Da
  • ChemSpider ID28424131

More details:






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

4-{7-[6-Cyan-5-(trifluormethyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl}-2-fluor-N-methylbenzamid [German] [ACD/IUPAC Name]
4-{7-[6-Cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl}-2-fluoro-N-methylbenzamide [ACD/IUPAC Name]
4-{7-[6-Cyano-5-(trifluorométhyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl}-2-fluoro-N-méthylbenzamide [French] [ACD/IUPAC Name]
apalutamida [Spanish] [INN]
apalutamide [INN]
apalutamide [French] [INN]
apalutamidum [Latin] [INN]
ARN 509
ARN-509
Benzamide, 4-[7-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluoro-N-methyl- [ACD/Index Name]
More...

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 1979
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1979
      no pictogram Axon Medchem 1979
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1979
      Warning Axon Medchem 1979
    • Target Organs:

      Androgen Receptor inhibitor TargetMol T2339
    • Bio Activity:

      Androgen Receptor MedChem Express HY-16060
      Androgen Receptor; GABAA receptor TargetMol T2339
      ARN-509 is a selective and competitive androgen receptor inhibitor with IC50 of 16 nM, useful for prostate cancer treatment. MedChem Express
      ARN-509 is a selective and competitive androgen receptor inhibitor with IC50 of 16 nM, useful for prostate cancer treatment.;IC50 value: 16 nM;Target: androgen receptorARN-509 is an androgen receptor antagonist with potential antineoplastic activity. ARN-509 binds to AR in target tissues thereby preventing androgen-induced receptor activation and facilitating the formation of inactive complexes that cannot be translocated to the nucleus. This prevents binding to and transcription of AR-responsive genes. This ultimately inhibits the expression of genes that regulate prostate cancer cell proliferation and may lead to an inhibition of cell growth in AR-expressing tumor cells. MedChem Express HY-16060
      Endocrinology/ Hormones TargetMol T2339

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 110.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.54
ACD/KOC (pH 5.5): 133.48
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.54
ACD/KOC (pH 7.4): 133.48
Polar Surface Area: 121 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 75.2±5.0 dyne/cm
Molar Volume: 300.2±5.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form