ChemSpider 2D Image | (1R)-1-[6,7-Bis(difluoromethoxy)-2-naphthyl]-2-methyl-1-(1H-1,2,3-triazol-4-yl)-1-propanol | C18H17F4N3O3

(1R)-1-[6,7-Bis(difluoromethoxy)-2-naphthyl]-2-methyl-1-(1H-1,2,3-triazol-4-yl)-1-propanol

  • Molecular FormulaC18H17F4N3O3
  • Average mass399.340 Da
  • Monoisotopic mass399.120605 Da
  • ChemSpider ID35308310

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-1-[6,7-Bis(difluormethoxy)-2-naphthyl]-2-methyl-1-(1H-1,2,3-triazol-4-yl)-1-propanol [German] [ACD/IUPAC Name]
(1R)-1-[6,7-Bis(difluoromethoxy)-2-naphthyl]-2-methyl-1-(1H-1,2,3-triazol-4-yl)-1-propanol [ACD/IUPAC Name]
(1R)-1-[6,7-Bis(difluorométhoxy)-2-naphtyl]-2-méthyl-1-(1H-1,2,3-triazol-4-yl)-1-propanol [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-methanol, α-[6,7-bis(difluoromethoxy)-2-naphthalenyl]-α-(1-methylethyl)-, (αR)- [ACD/Index Name]
1375603-38-5 [RN]
MFCD28167779
seviteronel (r enantiomer)
Seviteronel enantiomer
Seviteronel R enantiomer
Seviteronel R enantiomer;VT464 R enantiomer;VT 464 R enantiomer
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cytochrome P450 MedChem Express HY-15996A
      Metabolism/Protease MedChem Express HY-15996A
      Metabolism/Protease; MedChem Express HY-15996A
      VT-464 R enantiomer is the R enantiomer of VT-464, which is a potent CYP17 lyase inhibitor(h-Lyase IC50=69 nM); VT-464 R enantiomer's activity is unknown. MedChem Express
      VT-464 R enantiomer is the R enantiomer of VT-464, which is a potent CYP17 lyase inhibitor(h-Lyase IC50=69 nM); VT-464 R enantiomer's activity is unknown.; IC50 value:; Target: CYP17 Lyase inhibitor; in vitro: VT-464, a non-steroidal small molecule inhibits androgen production without mineralocorticoid excess or cortisol depletion by selective inhibition of CYP17 17,20-lyase. MedChem Express HY-15996A
      VT-464 R enantiomer is the R enantiomer of VT-464, which is a potent CYP17 lyase inhibitor(h-Lyase IC50=69 nM); VT-464 R enantiomer's activity is unknown.;IC50 value:;Target: CYP17 Lyase inhibitor;In vitro: VT-464, a non-steroidal small molecule inhibits androgen production without mineralocorticoid excess or cortisol depletion by selective inhibition of CYP17 17,20-lyase. We determined the impact of VT-464 on tumor growth of a mCRPC xenograft, MDA-PCa-133, in vivo, and on androgen signaling in C4-2B prostate cancer cells in vitro [2].;In vivo: The MDA-PCa-133 xenograft is derived from a clinical CRPC bone metastasis. Subcutaneous MDA-PCa-133 tumor expresses PSA, full-length androgen receptor (AR) and AR-V7 isoform. We determined the effect of VT464 and AA on MDA-PCa-133 growing in tumor-bearing castrated male mice: randomization into three groups; oral treatment with vehicle only, VT-464, (100 mg/kg bid), or AA (100 mg/kg bid) for 25 days. Both VT-464 and AA reduced tumor volume MedChem Express HY-15996A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 536.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 278.2±28.7 °C
Index of Refraction: 1.562
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.74
ACD/KOC (pH 5.5): 1218.59
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 132.86
ACD/KOC (pH 7.4): 1126.42
Polar Surface Area: 80 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 286.5±3.0 cm3

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