ChemSpider 2D Image | SSR 69071 | C27H32N4O7S

SSR 69071

  • Molecular FormulaC27H32N4O7S
  • Average mass556.631 Da
  • Monoisotopic mass556.199158 Da
  • ChemSpider ID8048127

More details:

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

2-[(4-Isopropyl-6-methoxy-1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)methoxy]-9-[2-(1-piperidinyl)ethoxy]-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-[(4-Isopropyl-6-methoxy-1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)methoxy]-9-[2-(1-piperidinyl)ethoxy]-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
2-[(4-Isopropyl-6-methoxy-1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)methoxy]-9-[2-(piperidin-1-yl)ethoxy]-4H-pyrido[1,2-a]pyrimidin-4-one
2-[(4-Isopropyl-6-méthoxy-3-oxo-1,1-dioxydo-1,2-benzothiazol-2(3H)-yl)méthoxy]-9-[2-(1-pipéridinyl)éthoxy]-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
344930-95-6 [RN]
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-[[6-methoxy-4-(1-methylethyl)-1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl]methoxy]-9-[2-(1-piperidinyl)ethoxy]- [ACD/Index Name]
6-methoxy-1,1-dioxo-2-[[4-oxo-9-[2-(1-piperidinyl)ethoxy]-2-pyrido[1,2-a]pyrimidinyl]oxymethyl]-4-propan-2-yl-1,2-benzothiazol-3-one
SSR 69071
[344930-95-6] [RN]
2-(4-Isopropyl-6-methoxy-1,1,3-trioxo-1,3-dihydro-1λ*6*-benzo[d]isothiazol-2-ylmethoxy)-9-(2-piperidin-1-yl-ethoxy)-pyrido[1,2-a]pyrimidin-4-one
More...
  • Experimental Physico-chemical Properties

    • Experimental Solubility:

      Soluble to 10 mM in ethanol and to 25 mM in DMSO Tocris Bioscience 2506
      Soluble to 40 mM in ethanol and to 25 mM in DMSO Tocris Bioscience 2506
  • Miscellaneous

    • Bio Activity:

      Elastase Tocris Bioscience 2506
      Enzymes Tocris Bioscience 2506
      High affinity, potent inhibitor of human leukocyte elastase (HLE) (IC50 = 3.9 nM). Displays species-selectivity (Ki values are 0.017, 1.70, 3.01, 58 and > 100 nM for human, mouse, rat, rabbit and por cine elastase respectively). Inhibits HLE-induced lung hemorrhage in mice (ID50 = 2.8 mg/kg) and reduces infarct size in an in vivo acute model of coronary ischemia-reperfusion injury. Orally active. Tocris Bioscience 2506
      High affinity, potent inhibitor of human leukocyte elastase (HLE) (IC50 = 3.9 nM). Displays species-selectivity (Ki values are 0.017, 1.70, 3.01, 58 and > 100 nM for human, mouse, rat, rabbit and porcine elastase respectively). Inhibits HLE-induced lung hemorrhage in mice (ID50 = 2.8 mg/kg) and reduces infarct size in an in vivo acute model of coronary ischemia-reperfusion injury. Orally active. Tocris Bioscience 2506
      High affinity, potent inhibitor of human leukocyte elastase (HLE) (IC50 = 3.9 nM). Displays species-selectivity (Ki values are 0.017, 1.70, 3.01, 58 and > 100 nM for human, mouse, rat, rabbit and porcine elastase respectively). Inhibits HLE-induced lung hemorrhage in mice (ID50 = 2.8 mg/kg) and reduces infarct size in an in vivo acute model of coronary ischemia-reperfusion injury. Orally active. Tocris Bioscience 2506
      Potent, orally active human leukocyte elastase inhibitor Tocris Bioscience 2506
      Proteases Tocris Bioscience 2506

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

Density: 1.4±0.1 g/cm3
Boiling Point: 763.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 415.4±35.7 °C
Index of Refraction: 1.656
Molar Refractivity: 144.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.29
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 2.07
ACD/KOC (pH 7.4): 26.15
Polar Surface Area: 126 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 392.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement