ChemSpider 2D Image | Jaspamide | C36H45BrN4O6

Jaspamide

  • Molecular FormulaC36H45BrN4O6
  • Average mass709.670 Da
  • Monoisotopic mass708.252258 Da
  • ChemSpider ID21430692

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4R,7R,10S,13S,15Z,17R,19S)-7-[(2-Brom-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-en-2,6,9,12-tetron [German] [ACD/IUPAC Name]
(4R,7R,10S,13S,15Z,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone [ACD/IUPAC Name]
1-Oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone, 7-[(2-bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-, (4R,7R,10S,13S,15Z,17R,19S)- [ACD/Index Name]
1-oxa-5,8,11-triazacyclononadeca-5,11,15-triene-2,9-dione, 7-[(2-bromo-1H-indol-3-yl)methyl]-6,12-dihydroxy-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-, (4R,5E,7R,10S,13S,15Z,17R,19S)-
Jaspamide
(4R,7R,10S,13S,15E,17R,19S)-7-[(2-Bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone [ACD/IUPAC Name]
[102396-24-7] [RN]
102396-24-7 [RN]
cyclo[(3R)-3-(4-hydroxyphenyl)-?-alanyl-8S-hydroxy-2S,4E,6R-trimethyl-4-nonenoyl-L-alanyl-2-bromo-N-methyl-D-tryptophyl]
GX7000000
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A cyclodepsipeptide isolated from Jaspis splendens and has been shown to exhibit antineoplastic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66104

    • Bio Activity:

      Actin Tocris Bioscience 2792
      Cell Biology Tocris Bioscience 2792
      Cytoskeleton and Motor Proteins Tocris Bioscience 2792
      Rapidly stabilizes pre-formed actin filaments and inhibits their disassembly in vitro. Also induces polymerization of actin monomers into F-actin in vivo. Shown to bind to F-actin competitively with phalloidin (Cat. No. 4535) (Kd ~ 15 nM). Exhibits antifungal and antiproliferative effects (IC50 = 35 nM for antiproliferative activity in PC3 cells). Cell permeable. Tocris Bioscience 2792

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

Density: 1.4±0.0 g/cm3
Boiling Point: 927.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 141.4±0.0 kJ/mol
Flash Point: 514.9±0.0 °C
Index of Refraction: 1.620
Molar Refractivity: 183.5±0.0 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 527.95
ACD/KOC (pH 5.5): 2059.27
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 519.66
ACD/KOC (pH 7.4): 2026.90
Polar Surface Area: 148 Å2
Polarizability: 72.7±0.0 10-24cm3
Surface Tension: 46.7±0.0 dyne/cm
Molar Volume: 521.9±0.0 cm3

Click to predict properties on the Chemicalize site


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