ChemSpider 2D Image | N-(3-Chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine | C12H6ClFN4O3

N-(3-Chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

  • Molecular FormulaC12H6ClFN4O3
  • Average mass308.652 Da
  • Monoisotopic mass308.011261 Da
  • ChemSpider ID29342357

More details:

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

1422955-31-4 [RN]
2,1,3-Benzoxadiazol-5-amine, N-(3-chloro-5-fluorophenyl)-4-nitro- [ACD/Index Name]
N-(3-Chlor-5-fluorphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amin [German] [ACD/IUPAC Name]
N-(3-Chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine [ACD/IUPAC Name]
N-(3-Chloro-5-fluorophényl)-4-nitro-2,1,3-benzoxadiazol-5-amine [French] [ACD/IUPAC Name]
[1422955-31-4] [RN]
BRL 38227 |
Compound 2
HIF-2 inhibitor 2
HIF-2α Antagonist 2
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Biology Tocris Bioscience 5243
      HIF Tocris Bioscience 5243
      High affinity and selective HIF-2? inhibitor Tocris Bioscience 5243
      High affinity and selective HIF-2? inhibitor (Kd = 81 nM). Binds to the HIF-2? PAS-B domain; disrupts HIF-2?-ARNT heterodimerization. Exhibits >60-fold selectivity for HIF-2? over HIF-1?. Decreases HI F-2? DNA-binding and attenuates expression of HIF-2? target genes in vitro. Tocris Bioscience 5243
      High affinity and selective HIF-2? inhibitor (Kd = 81 nM). Binds to the HIF-2? PAS-B domain; disrupts HIF-2?-ARNT heterodimerization. Exhibits >60-fold selectivity for HIF-2? over HIF-1?. Decreases HIF-2? DNA-binding and attenuates expression of HIF-2? target genes in vitro. Tocris Bioscience 5243
      High affinity and selective HIF-2alpha inhibitor Tocris Bioscience 5243
      High affinity and selective HIF-2alpha inhibitor (Kd = 81 nM). Binds to the HIF-2alpha PAS-B domain; disrupts HIF-2alpha-ARNT heterodimerization. Exhibits >60-fold selectivity for HIF-2alpha over HIF-1alpha. Decreases HIF-2alpha DNA-binding and attenuates expression of HIF-2alpha target genes in vitro. Tocris Bioscience 5243
      Signal Transduction Tocris Bioscience 5243
      Transcription Factors Tocris Bioscience 5243

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 430.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 214.0±31.5 °C
Index of Refraction: 1.715
Molar Refractivity: 73.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 542.95
ACD/KOC (pH 5.5): 3156.04
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 542.95
ACD/KOC (pH 7.4): 3156.04
Polar Surface Area: 97 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 72.5±3.0 dyne/cm
Molar Volume: 186.8±3.0 cm3

Click to predict properties on the Chemicalize site


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