ChemSpider 2D Image | compound 22a [PMID: 21688779] | C14H13N5S

compound 22a [PMID: 21688779]

  • Molecular FormulaC14H13N5S
  • Average mass283.352 Da
  • Monoisotopic mass283.089172 Da
  • ChemSpider ID26612639

More details:

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

compound 22a [PMID: 21688779]
N-(2-Pyridinyl)-4,5,6,8-tetrahydropyrazolo[3',4':6,7]cyclohepta[1,2-d][1,3]thiazol-2-amin [German] [ACD/IUPAC Name]
N-(2-Pyridinyl)-4,5,6,8-tetrahydropyrazolo[3',4':6,7]cyclohepta[1,2-d][1,3]thiazol-2-amine [ACD/IUPAC Name]
N-(2-Pyridinyl)-4,5,6,8-tétrahydropyrazolo[3',4':6,7]cyclohepta[1,2-d][1,3]thiazol-2-amine [French] [ACD/IUPAC Name]
Pyrazolo[3',4':6,7]cyclohepta[1,2-d]thiazol-2-amine, 4,5,6,8-tetrahydro-N-2-pyridinyl- [ACD/Index Name]
[1314140-00-5] [RN]
1314140-00-5 [RN]
1554504-76-5 [RN]
MFCD22683816
N-(pyridin-2-yl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,10-tetraen-4-amine
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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:

      7-TM Receptors Tocris Bioscience 4370
      Glutamate (Metabotropic) Group III Receptors Tocris Bioscience 4370
      Glutamate (Metabotropic) Receptors Tocris Bioscience 4370
      Potent and selective mGlu4 receptor positive allosteric modulator (EC50 = 9 nM in human mGlu4-expressing BHK cells). Selective for mGlu4 over mGlu1, mGlu2, mGlu3, mGlu5 and mGlu7 receptors (EC50 value s are > 10 ?M). Brain penetrant. Tocris Bioscience 4370
      Potent and selective mGlu4 receptor positive allosteric modulator (EC50 = 9 nM in human mGlu4-expressing BHK cells). Selective for mGlu4 over mGlu1, mGlu2, mGlu3, mGlu5 and mGlu7 receptors (EC50 values are > 10 ?M). Brain penetrant. Tocris Bioscience 4370
      Potent and selective mGlu4 receptor positive allosteric modulator (EC50 = 9 nM in human mGlu4-expressing BHK cells). Selective for mGlu4 over mGlu1, mGlu2, mGlu3, mGlu5 and mGlu7 receptors (EC50 values are > 10 muM). Brain penetrant. Tocris Bioscience 4370
      Potent, selective mGlu4 positive allosteric modulator Tocris Bioscience 4370

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 603.5±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 318.8±32.3 °C
Index of Refraction: 1.739
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.32
ACD/KOC (pH 5.5): 733.53
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.88
ACD/KOC (pH 7.4): 749.56
Polar Surface Area: 95 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 77.5±3.0 dyne/cm
Molar Volume: 197.3±3.0 cm3

Click to predict properties on the Chemicalize site


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