ChemSpider 2D Image | Darolutamide | C19H19ClN6O2

Darolutamide

  • Molecular FormulaC19H19ClN6O2
  • Average mass398.846 Da
  • Monoisotopic mass398.125793 Da
  • ChemSpider ID38772320
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

1H-Pyrazole-3-carboxamide, N-[(1S)-2-[3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl]-1-methylethyl]-5-(1-hydroxyethyl)- [ACD/Index Name]
BAY-1841788
darolutamida [Spanish] [INN]
darolutamide [French] [INN]
Darolutamide [INN] [Wiki]
N-{(2S)-1-[3-(3-Chlor-4-cyanphenyl)-1H-pyrazol-1-yl]-2-propanyl}-5-(1-hydroxyethyl)-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
N-{(2S)-1-[3-(3-Chloro-4-cyanophenyl)-1H-pyrazol-1-yl]-2-propanyl}-5-(1-hydroxyethyl)-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
N-{(2S)-1-[3-(3-Chloro-4-cyanophényl)-1H-pyrazol-1-yl]-2-propanyl}-5-(1-hydroxyéthyl)-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
ODM-201
UNII:X05U0N2RCO
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Androgen Receptor MedChem Express HY-16985
      ODM-201 is a potent and full antagonists for human AR (hAR) with IC50 values of 26 nM by transactivation assays in AR-HEK293 cells. ;IC50 value: 26 nM (in AR-HEK293 cells);Target: androgen receptor;In vitro: ODM-201 is a new-generation androgen receptor inhibitor targeting resistance mechanisms to androgen signaling-directed prostate cancer therapies. In competitive AR binding assays, the inhibition constant (Ki) values of ODM-201 were 11 nM. [1];In vivo: ODM-201 inhibits tumor growth in a castration-resistant VCaP xenograft model in vivo. ODM-201 shows a significant antitumor activity with both doses, 50 mg/kg twice daily being more efficacious compared to castrated, untreated mice (p < 0.001).[1] MedChem Express HY-16985

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

Density: 1.4±0.1 g/cm3
Boiling Point: 719.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 388.9±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 106.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.04
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.56
ACD/KOC (pH 5.5): 103.10
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.56
ACD/KOC (pH 7.4): 103.07
Polar Surface Area: 120 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 281.3±7.0 cm3

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