ChemSpider 2D Image | Tosedostat | C21H30N2O6

Tosedostat

  • Molecular FormulaC21H30N2O6
  • Average mass406.473 Da
  • Monoisotopic mass406.210388 Da
  • ChemSpider ID24606030

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-({(2R)-2-[(1S)-1-Hydroxy-2-(hydroxyamino)-2-oxoéthyl]-4-méthylpentanoyl}amino)(phényl)acétate de cyclopentyle [French] [ACD/IUPAC Name]
238750-77-1 [RN]
Benzeneacetic acid, α-[[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-, cyclopentyl ester, (αS)- [ACD/Index Name]
Cyclopentyl (2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)acetate [ACD/IUPAC Name]
cyclopentyl (2S)-2-[(2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-2-(2-methylpropyl)propanamido]-2-phenylacetate
Cyclopentyl-(2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)acetat [German] [ACD/IUPAC Name]
KZK563J2UW
tosedostat [Spanish] [INN]
Tosedostat [INN] [USAN]
tosédostat [French] [INN]
More...

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

9044 [DBID]
CHR-2797 [DBID]
CHR 2797 [DBID]
CHR2797 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Aminopeptidase inhibitor Tocris Bioscience 3595
      Aminopeptidase inhibitor (IC50 values are 100, 150, 220, > 1000, > 5000, > 10000 and > 30000 nM for LAP, PuSA, aminopeptidase N, aminopeptidase B, PILSAP, LTA4 hydrolase and MetAP2 respectively). Pote ntly inhibits tumor cell proliferation in a variety of tumor cell lines in vitro and in vivo. Tocris Bioscience 3595
      Aminopeptidase inhibitor (IC50 values are 100, 150, 220, > 1000, > 5000, > 10000 and > 30000 nM for LAP, PuSA, aminopeptidase N, aminopeptidase B, PILSAP, LTA4 hydrolase and MetAP2 respectively). Potently inhibits tumor cell proliferation in a variety of tumor cell lines in vitro and in vivo. Tocris Bioscience 3595
      Aminopeptidases Tocris Bioscience 3595
      Enzymes Tocris Bioscience 3595
      Proteases Tocris Bioscience 3595

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.566
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 17.10
ACD/KOC (pH 5.5): 265.56
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.97
ACD/KOC (pH 7.4): 263.63
Polar Surface Area: 125 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 326.4±5.0 cm3

Click to predict properties on the Chemicalize site


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