ChemSpider 2D Image | RQ-00203078 | C21H13ClF6N2O5S

RQ-00203078

  • Molecular FormulaC21H13ClF6N2O5S
  • Average mass554.847 Da
  • Monoisotopic mass554.013794 Da
  • ChemSpider ID34979854

More details:

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

1254205-52-1 [RN]
4-(N-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(4-(trifluoromethoxy)benzyl)sulfamoyl)benzoic acid
4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl][[4-(trifluoromethoxy)phenyl]methyl]amino]sulfonyl]-benzoic acid
4-{[3-Chlor-5-(trifluormethyl)-2-pyridinyl][4-(trifluormethoxy)benzyl]sulfamoyl}benzoesäure [German] [ACD/IUPAC Name]
4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl][4-(trifluoromethoxy)benzyl]sulfamoyl}benzoic acid [ACD/IUPAC Name]
4-{[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]({[4-(TRIFLUOROMETHOXY)PHENYL]METHYL})SULFAMOYL}BENZOIC ACID
Acide 4-{[3-chloro-5-(trifluorométhyl)-2-pyridinyl][4-(trifluorométhoxy)benzyl]sulfamoyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl][[4-(trifluoromethoxy)phenyl]methyl]amino]sulfonyl]- [ACD/Index Name]
MFCD29049510
RQ-00203078
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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

    • Target Organs:

      TRP/TRPV Channel TargetMol T2007

    • Bio Activity:

      Ion Channels Tocris Bioscience 5388
      Membrane Tranporter/Ion Channel MedChem Express HY-18662
      Membrane Tranporter/Ion Channel; MedChem Express HY-18662
      Membrane Transporter/Ion Channel TargetMol T2007
      Potent and selective TRPM8 antagonist; orally active Tocris Bioscience 5388
      Potent TRPM8 antagonist (IC50 values are 5.3 and 8.3 nM for rat and human channels respectively). Exhibits >350-fold selectivity for TRPM8 over TRPV4, TRPV1 and TRPA1. Reduces HSC3 and HSC4 oral squam ous carcinoma cell migration and invasion in vitro. Also attenuates icilin-induced wet dog shakes in rats. Orally active. Tocris Bioscience 5388
      Potent TRPM8 antagonist (IC50 values are 5.3 and 8.3 nM for rat and human channels respectively). Exhibits >350-fold selectivity for TRPM8 over TRPV4, TRPV1 and TRPA1. Reduces HSC3 and HSC4 oral squamous carcinoma cell migration and invasion in vitro. Also attenuates icilin-induced wet dog shakes in rats. Orally active. Tocris Bioscience 5388
      RQ-00203078 is a highly selective, potent and orally available TRPM8 antagonist (IC50 values are 5.3 and 8.3 nM for rat and human channels respectively), exhibits MedChem Express http://www.medchemexpress.com/PFI-2-hydrochloride.html
      RQ-00203078 is a highly selective, potent and orally available TRPM8 antagonist (IC50 values are 5.3 and 8.3 nM for rat and human channels respectively), exhibits >350-fold selectivity for TRPM8 over TRPV4, TRPV1 and TRPA1. MedChem Express HY-18662
      RQ-00203078 is a highly selective, potent and orally available TRPM8 antagonist (IC50 values are 5.3 and 8.3 nM for rat and human channels respectively), exhibits >350-fold selectivity for TRPM8 over TRPV4, TRPV1 and TRPA1. ;IC50 value: 5.3 nM (for rat channel), 8.3 nM nM ( for human channel);Target: TRPM8;In vitro: RQ-00203078 reduces HSC3 and HSC4 oral squamous carcinoma cell migration and invasion.;In vivo: RQ-00203078 demonstrates excellent in vivo activity in a dose dependent manner with an ED50 value of 0.65 mg/kg in the icilin-induced wet-dog shakes model in rats after oral administration and may become an important pharmacological tool for fully assessing the potential therapeutic use of the targets activated by cold stimulation. RQ-00203078 also attenuates icilin-induced wet dog shakes in rats. MedChem Express HY-18662
      Transient Receptor Potential Channels Tocris Bioscience 5388
      TRP Channel MedChem Express HY-18662
      TRPM Tocris Bioscience 5388
      TRPM8 TargetMol T2007

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

Density: 1.6±0.1 g/cm3
Boiling Point: 602.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 317.9±34.3 °C
Index of Refraction: 1.567
Molar Refractivity: 114.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 155.44
ACD/KOC (pH 5.5): 331.53
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 14.89
ACD/KOC (pH 7.4): 31.76
Polar Surface Area: 105 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 349.4±3.0 cm3

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