ChemSpider 2D Image | LY393558 | C26H31FN4O4S2

LY393558

  • Molecular FormulaC26H31FN4O4S2
  • Average mass546.677 Da
  • Monoisotopic mass546.177063 Da
  • ChemSpider ID8522886

More details:

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

1-{2-[4-(6-Fluor-1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridinyl]ethyl}-3-isopropyl-6-(methylsulfonyl)-3,4-dihydro-1H-2,1,3-benzothiadiazin-2,2-dioxid [German] [ACD/IUPAC Name]
1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridinyl]ethyl}-3-isopropyl-6-(methylsulfonyl)-3,4-dihydro-1H-2,1,3-benzothiadiazine 2,2-dioxide [ACD/IUPAC Name]
1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethyl}-3-isopropyl-6-(methylsulfonyl)-3,4-dihydro-1H-2,1,3-benzothiadiazine 2,2-dioxide
1H-2,1,3-Benzothiadiazine, 1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridinyl]ethyl]-3,4-dihydro-3-(1-methylethyl)-6-(methylsulfonyl)-, 2,2-dioxide [ACD/Index Name]
2,2-Dioxyde de 1-{2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridinyl]éthyl}-3-isopropyl-6-(méthylsulfonyl)-3,4-dihydro-1H-2,1,3-benzothiadiazine [French] [ACD/IUPAC Name]
271780-64-4 [RN]
LY 393558
LY393558
(E)-2,3',4,5'-tetramethoxystilbene |
[271780-64-4] [RN]
More...

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

UN2811 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      5-HT Receptors Tocris Bioscience 3350
      5-HT1 Receptors Tocris Bioscience 3350
      7-TM Receptors Tocris Bioscience 3350
      Dual 5-HT1B/1D antagonist and 5-HT re-uptake inhibitor Tocris Bioscience 3350
      Dual 5-HT1B/1D receptor antagonist (pKB values are 9.05 and 8.98 respectively) and 5-HT re-uptake inhibitor (pIC50 = 8.48). Potently antagonizes terminal autoreceptor activity in vitro and increases e xtracellular 5-HT levels above those evoked by fluoxetine (Cat. No. 0927) in vivo. Also acts as an antagonist at 5-HT2A and 5-HT2B receptors (pKi values are 7.29 and 7.35 respectively). Tocris Bioscience 3350
      Dual 5-HT1B/1D receptor antagonist (pKB values are 9.05 and 8.98 respectively) and 5-HT re-uptake inhibitor (pIC50 = 8.48). Potently antagonizes terminal autoreceptor activity in vitro and increases extracellular 5-HT levels above those evoked by fluoxetine (Cat. No. 0927) in vivo. Also acts as an antagonist at 5-HT2A and 5-HT2B receptors (pKi values are 7.29 and 7.35 respectively). Tocris Bioscience 3350

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

Density: 1.4±0.1 g/cm3
Boiling Point: 785.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 429.0±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 143.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.07
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 5.81
ACD/KOC (pH 7.4): 93.29
Polar Surface Area: 111 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 402.1±3.0 cm3

Click to predict properties on the Chemicalize site


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