ChemSpider 2D Image | TMC353121 | C32H42N6O3

TMC353121

  • Molecular FormulaC32H42N6O3
  • Average mass558.714 Da
  • Monoisotopic mass558.331848 Da
  • ChemSpider ID9424965

More details:

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

2-(6-((2-(3-hydroxypropyl)-5-methylphenylamino)methyl)-2-(3-morpholin-4-ylpropylamino)benzoimidazol-1-ylmethyl)-6-methylpyridin-3-ol
2-{[6-({[2-(3-Hydroxypropyl)-5-methylphenyl]amino}methyl)-2-{[3-(4-morpholinyl)propyl]amino}-1H-benzimidazol-1-yl]methyl}-6-methyl-3-pyridinol [German] [ACD/IUPAC Name]
2-{[6-({[2-(3-Hydroxypropyl)-5-methylphenyl]amino}methyl)-2-{[3-(4-morpholinyl)propyl]amino}-1H-benzimidazol-1-yl]methyl}-6-methyl-3-pyridinol [ACD/IUPAC Name]
2-{[6-({[2-(3-Hydroxypropyl)-5-méthylphényl]amino}méthyl)-2-{[3-(4-morpholinyl)propyl]amino}-1H-benzimidazol-1-yl]méthyl}-6-méthyl-3-pyridinol [French] [ACD/IUPAC Name]
2-{[6-({[2-(3-hydroxypropyl)-5-methylphenyl]amino}methyl)-2-{[3-(morpholin-4-yl)propyl]amino}-1H-benzimidazol-1-yl]methyl}-6-methylpyridin-3-ol
3-Pyridinol, 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl- [ACD/Index Name]
857066-90-1 [RN]
TMC353121
TMC-353121
[857066-90-1] [RN]
More...

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

538EBT31Z1 [DBID]
UNII:538EBT31Z1 [DBID]
UNII-538EBT31Z1 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Anti-infection MedChem Express HY-11097
      Anti-infection; MedChem Express HY-11097
      RSV MedChem Express HY-11097
      TMC353121 is a potent RSV fusion inhibitor with pEC50 of 9.9(t1/2 in lung = 25 h). MedChem Express
      TMC353121 is a potent RSV fusion inhibitor with pEC50 of 9.9(t1/2 in lung = 25 h).; IC50 value: 9.9(pEC50) [1]; Target: RSV fusion inhibitor; The activity profile of 56d(TMC353121) was found to be identical to the profile of JNJ-2408068. MedChem Express HY-11097
      TMC353121 is a potent RSV fusion inhibitor with pEC50 of 9.9(t1/2 in lung = 25 h).;IC50 value: 9.9(pEC50) [1];Target: RSV fusion inhibitor;The activity profile of 56d(TMC353121) was found to be identical to the profile of JNJ-2408068. After iv administration, 56d was rapidly eliminated with a plasma clearance of 5.4 L/h/kg. The plasma concentrations dropped quickly within the first hour after dosing and then much more slowly. The plasma half-life determined between 4 and 24 h (last blood sampling time point) was about 10 h. 56d was shown to be active by intravenous, oral, and aerosol administration in the cotton rat model at doses of 10 mg/kg, 40 mg/kg, and 5 mg/mL, respectively [2]. MedChem Express HY-11097

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

Density: 1.3±0.1 g/cm3
Boiling Point: 822.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 451.2±37.1 °C
Index of Refraction: 1.641
Molar Refractivity: 160.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.72
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 117.41
ACD/KOC (pH 7.4): 786.34
Polar Surface Area: 108 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 444.0±7.0 cm3

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