ChemSpider 2D Image | ORM-15341 | C19H17ClN6O2


  • Molecular FormulaC19H17ClN6O2
  • Average mass396.830 Da
  • Monoisotopic mass396.110138 Da
  • ChemSpider ID38772344
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1297537-33-7 [RN]
1H-Pyrazole-3-carboxamide, 5-acetyl-N-[(1S)-2-[3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl]-1-methylethyl]- [ACD/Index Name]
21428598 [Beilstein]
5-Acetyl-N-{(2S)-1-[3-(3-chlor-4-cyanphenyl)-1H-pyrazol-1-yl]-2-propanyl}-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
5-Acetyl-N-{(2S)-1-[3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl]-2-propanyl}-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
5-Acétyl-N-{(2S)-1-[3-(3-chloro-4-cyanophényl)-1H-pyrazol-1-yl]-2-propanyl}-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
MFCD29472275 [MDL number]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Androgen Receptor MedChem Express HY-19337
      ORM-15341 is a potent and full antagonist for human AR (hAR) with IC50 values of 38 nM as shown by transactivation assays in AR-HEK293 cells stably expressing full-length hAR and an androgen-responsive luciferase reporter gene construct.;IC50 value: 38 nM;Target: androgen receptor;In vitro: In competitive AR binding assays, the inhibition constant (Ki) values of ORM-15341 was 8 nM. ORM-15341 functions as a full antagonist for all tested mutant ARs , with IC50 of 25, 51, 700, and 1160 nM for wtAR, AR(F876L), AR(T877A), and AR(W741L). MedChem Express HY-19337

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

Density: 1.4±0.1 g/cm3
Boiling Point: 714.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.0±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 106.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.31
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.44
ACD/KOC (pH 5.5): 173.54
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 8.99
ACD/KOC (pH 7.4): 165.26
Polar Surface Area: 116 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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