ChemSpider 2D Image | Litronesib | C23H37N5O4S2

Litronesib

  • Molecular FormulaC23H37N5O4S2
  • Average mass511.701 Da
  • Monoisotopic mass511.228699 Da
  • ChemSpider ID28528996
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

910634-41-2 [RN]
9159
Litronesib [INN] [USAN]
N-{(5R)-4-(2,2-Dimethylpropanoyl)-5-[({[2-(ethylamino)ethyl]sulfonyl}amino)methyl]-5-phenyl-4,5-dihydro-1,3,4-thiadiazol-2-yl}-2,2-dimethylpropanamid [German] [ACD/IUPAC Name]
N-{(5R)-4-(2,2-Dimethylpropanoyl)-5-[({[2-(ethylamino)ethyl]sulfonyl}amino)methyl]-5-phenyl-4,5-dihydro-1,3,4-thiadiazol-2-yl}-2,2-dimethylpropanamide [ACD/IUPAC Name]
N-{(5R)-4-(2,2-Diméthylpropanoyl)-5-[({[2-(éthylamino)éthyl]sulfonyl}amino)méthyl]-5-phényl-4,5-dihydro-1,3,4-thiadiazol-2-yl}-2,2-diméthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[(5R)-4-(2,2-dimethyl-1-oxopropyl)-5-[[[[2-(ethylamino)ethyl]sulfonyl]amino]methyl]-4,5-dihydro-5-phenyl-1,3,4-thiadiazol-2-yl]-2,2-dimethyl- [ACD/Index Name]
(-)-N-[4-(2,2-Dimethylpropanoyl)-5-[[2-(ethylamino)ethanesulfonamido]methyl]-5-phenyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
KF-89617
LY-2523355
More...

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

6611F8KYCV [DBID]
KF 89617 [DBID]
LY2523355 [DBID]
UNII:6611F8KYCV [DBID]
UNII-6611F8KYCV [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-14846
      Cell Cycle/DNA Damage; MedChem Express HY-14846
      Ksp1 MedChem Express HY-14846
      Litronesib is a selective, allosteric inhibitor of Eg5, which may result in mitotic disruption, apoptosis and consequently cell death in tumor cells that are actively dividing.; Target: Eg5 MedChem Express HY-14846
      Litronesib is a selective, allosteric inhibitor of Eg5, which may result in mitotic disruption, apoptosis and consequently cell death in tumor cells that are actively dividing.;Target: Eg5 MedChem Express HY-14846

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 139.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.56
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.29
ACD/KOC (pH 7.4): 16.89
Polar Surface Area: 154 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 414.4±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement