Found 1 result

Search term: 1354235-96-3 (Found by approved synonym)
ChemSpider 2D Image | trans-Ned 19 | C30H31FN4O3

trans-Ned 19

  • Molecular FormulaC30H31FN4O3
  • Average mass514.591 Da
  • Monoisotopic mass514.238037 Da
  • ChemSpider ID24604981

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-1-(3-{[4-(2-Fluorophenyl)-1-piperazinyl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid [ACD/IUPAC Name]
(1R,3S)-1-(3-{[4-(2-Fluorphenyl)-1-piperazinyl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-β-carbolin-3-carbonsäure [German] [ACD/IUPAC Name]
(1R,3S)-1-[3-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
1354235-96-3 [RN]
1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-[3-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-, (1R,3S)- [ACD/Index Name]
Acide (1R,3S)-1-(3-{[4-(2-fluorophényl)-1-pipérazinyl]méthyl}-4-méthoxyphényl)-2,3,4,9-tétrahydro-1H-β-carboline-3-carboxylique [French] [ACD/IUPAC Name]
trans-Ned 19
trans-Ned-19
(1R,3S)-)-1-[3-[[4-(2-Fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
(1R,3S)-1-(3-((4-(2-Fluorophenyl)piperazin-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A member of the class of <locant>beta</locant>-carbolines that is 2,3,4,9-tetrahydro-1<element>H</element>-<locant>beta</locant>-carboline-3-carboxylic acid in which one of the methylene protons at po sition 1 has been replaced by a 3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl group. ChEBI CHEBI:138526
      A member of the class of beta-carbolines that is 2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid in which one of the methylene protons at po; sition 1 has been replaced by a 3-{[4-(2-fluorophen yl)piperazin-1-yl]methyl}-4-methoxyphenyl group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138526
      A member of the class of beta-carbolines that is 2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid in which one of the methylene protons at position 1 has been replaced by a 3-{[4-(2-fluorophenyl )piperazin-1-yl]methyl}-4-methoxyphenyl group. ChEBI CHEBI:138526

    • Bio Activity:

      Calcium Signaling Tocris Bioscience 3954
      Cell Biology Tocris Bioscience 3954
      General Calcium Signaling Agents Tocris Bioscience 3954
      NAADP antagonist; inhibits Ca2+ release Tocris Bioscience 3954
      Nicotinic acid adenine dinucleotide phosphate (NAADP) antagonist. Inhibits NAADP-mediated Ca2+ release (IC50 = 6 nM); also inhibits [32P]NAADP binding (IC50 = 0.4 nM). Fluorescently labels NAADP recep tors in intact cells. Stereosiomer of cis-Ned 19 (Cat. No. 3953). Tocris Bioscience 3954
      Nicotinic acid adenine dinucleotide phosphate (NAADP) antagonist. Inhibits NAADP-mediated Ca2+ release (IC50 = 6 nM); also inhibits [32P]NAADP binding (IC50 = 0.4 nM). Fluorescently labels NAADP receptors in intact cells. Stereosiomer of cis-Ned 19 (Cat. No. 3953). Tocris Bioscience 3954
      Signal Transduction Tocris Bioscience 3954

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

Density: 1.3±0.1 g/cm3
Boiling Point: 715.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 386.3±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 144.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.84
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 6.76
Polar Surface Area: 81 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 391.0±3.0 cm3

Click to predict properties on the Chemicalize site


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