ChemSpider 2D Image | 2MUW0L49BN | C17H20N4

2MUW0L49BN

  • Molecular FormulaC17H20N4
  • Average mass280.367 Da
  • Monoisotopic mass280.168793 Da
  • ChemSpider ID24721323

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,6aS)-2-Methyl-5-(6-phenyl-3-pyridazinyl)octahydropyrrolo[3,4-c]pyrrol [German] [ACD/IUPAC Name]
(3aR,6aS)-2-Methyl-5-(6-phenyl-3-pyridazinyl)octahydropyrrolo[3,4-c]pyrrole [ACD/IUPAC Name]
(3aR,6aS)-2-Méthyl-5-(6-phényl-3-pyridazinyl)octahydropyrrolo[3,4-c]pyrrole [French] [ACD/IUPAC Name]
2MUW0L49BN
3-[(3aR,6aS)-5-methyl-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-6-phenylpyridazine
3-[(3aR,6aS)-5-methyl-octahydropyrrolo[3,4-c]pyrrol-2-yl]-6-phenylpyridazine
848591-89-9 [RN]
848591-90-2 [RN]
A-582941 FREE BASE
Pyrrolo[3,4-c]pyrrole, octahydro-2-methyl-5-(6-phenyl-3-pyridazinyl)-, (3aR,6aS)- [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Acetylcholine (Nicotinic) Receptors Tocris Bioscience 4341
      Ion Channels Tocris Bioscience 4341
      Ligand-gated Ion Channels Tocris Bioscience 4341
      Partial agonist at ?7 nAChR Tocris Bioscience 4341
      Partial agonist at alpha7 nAChR Tocris Bioscience 4341
      Selective ?7 nAChR partial agonist; exhibits high affinity for both rat and human ?7 receptors (Ki values are 10.8 and 16.7 nM respectively). Displays ~15-fold selectivity for ?7 over 5-HT3 receptors (Ki = 150 nM for 5-HT3). Tocris Bioscience 4341
      Selective ?7 nAChR partial agonist; exhibits high affinity for both rat and human ?7 receptors (Ki values are 10.8 and 16.7 nM respectively). Displays ~15-fold selectivity for ?7 over 5-HT3 receptors (Ki = 150 nM for 5-HT3). Tocris Bioscience 4341
      Selective alpha7 nAChR partial agonist; exhibits high affinity for both rat and human alpha7 receptors (Ki values are 10.8 and 16.7 nM respectively). Displays ~15-fold selectivity for alpha7 over 5-HT3 receptors (Ki = 150 nM for 5-HT3). Tocris Bioscience 4341

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

Density: 1.2±0.1 g/cm3
Boiling Point: 497.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.6±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 82.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.00
Polar Surface Area: 32 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 241.0±3.0 cm3

Click to predict properties on the Chemicalize site


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