ChemSpider 2D Image | A23187 | C29H37N3O6

A23187

  • Molecular FormulaC29H37N3O6
  • Average mass523.621 Da
  • Monoisotopic mass523.268250 Da
  • ChemSpider ID10131749
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

ANTIBIOTIC A 23187
4-Benzoxazolecarboxylic acid, 5-(methylamino)-2-[[(2R,3R,6S,8S,9R,11R)-3,9,11-trimethyl-8-[(1S)-1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undec-2-yl]methyl]- [ACD/Index Name]
5-(Methylamino)-2-({(2R,3R,6S,8S,9R,11R)-3,9,11-trimethyl-8-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)-2-propanyl]-1,7-dioxaspiro[5.5]undec-2-yl}methyl)-1,3-benzoxazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-(Methylamino)-2-({(2R,3R,6S,8S,9R,11R)-3,9,11-trimethyl-8-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)-2-propanyl]-1,7-dioxaspiro[5.5]undec-2-yl}methyl)-1,3-benzoxazole-4-carboxylic acid [ACD/IUPAC Name]
5-(Methylamino)-2-({(2R,3R,6S,8S,9R,11R)-3,9,11-trimethyl-8-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undec-2-yl}methyl)-1,3-benzoxazole-4-carboxylic acid
A23187 [Wiki]
Acide 5-(méthylamino)-2-({(2R,3R,6S,8S,9R,11R)-3,9,11-triméthyl-8-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)-2-propanyl]-1,7-dioxaspiro[5.5]undéc-2-yl}méthyl)-1,3-benzoxazole-4-carboxylique [French] [ACD/IUPAC Name]
Calcimycin
2-[[(2S,3R,5R,6S,8R,9R)-2-[(1S)-2-keto-1-methyl-2-(1H-pyrrol-2-yl)ethyl]-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-5-(methylamino)-1,3-benzoxazole-4-carboxylic acid
2-[[(2S,3R,5R,6S,8R,9R)-2-[(1S)-2-keto-1-methyl-2-(1H-pyrrol-2-yl)ethyl]-3,5,9-trimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-5-methylamino-1,3-benzoxazole-4-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

21186_FLUKA [DBID]
A-23187 [DBID]
C7522_SIGMA [DBID]
EU-0100317 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Calcium ionophore Tocris Bioscience 1234
      Calcium ionophore that induces Ca2+-dependent cell death by increasing intracellular calcium concentration. Promotes intracelllular ROS generation and platelet particle formation (fragmentation) in vi tro and in vivo. Can be used to induce autophagy in mammalian cells. Tocris Bioscience 1234
      Calcium ionophore that induces Ca2+-dependent cell death by increasing intracellular calcium concentration. Promotes intracelllular ROS generation and platelet particle formation (fragmentation) in vitro and in vivo. Can be used to induce autophagy in mammalian cells. Tocris Bioscience 1234
      Calcium Signaling Tocris Bioscience 1234
      Cell Biology Tocris Bioscience 1234
      Signal Transduction Tocris Bioscience 1234

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

Density: 1.3±0.1 g/cm3
Boiling Point: 710.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 383.4±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 141.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 29.59
ACD/KOC (pH 5.5): 76.56
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 26.90
ACD/KOC (pH 7.4): 69.60
Polar Surface Area: 127 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 406.9±5.0 cm3

Click to predict properties on the Chemicalize site





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