ChemSpider 2D Image | Zosuquidar | C32H31F2N3O2

Zosuquidar

  • Molecular FormulaC32H31F2N3O2
  • Average mass527.604 Da
  • Monoisotopic mass527.238464 Da
  • ChemSpider ID24599682
  • defined stereocentres - 4 of 4 defined stereocentres


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(2R)-1-(5-Chinolinyloxy)-3-{4-[(1aR,10bS)-1,1-difluor-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl]-1-piperazinyl}-2-propanol [German] [ACD/IUPAC Name]
(2R)-1-{4-[(1aR,10bS)-1,1-Difluoro-1,1a,6,10b-tétrahydrodibenzo[a,e]cyclopropa[c][7]annulén-6-yl]-1-pipérazinyl}-3-(5-quinoléinyloxy)-2-propanol [French] [ACD/IUPAC Name]
(2R)-1-{4-[(1aR,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl]-1-piperazinyl}-3-(5-quinolinyloxy)-2-propanol [ACD/IUPAC Name]
(2R)-1-{4-[(1aR,10bS)-1,1-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol
167354-41-8 [RN]
1-Piperazineethanol, 4-[(1aR,10bS)-1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]-α-[(5-quinolinyloxy)methyl]-, (αR)- [ACD/Index Name]
8083
AB5K82X98Y
Zosuquidar [Wiki]
(2R)-1-{4-[(2R,4S,11R)-3,3-difluorotetracyclo[10.4.0.02,4.05,10]hexadeca-1(12),5(10),6,8,13,15-hexaen-11-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LY 335979 [DBID]
LY335979 [DBID]
LY-335979 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Membrane Tranporter/Ion Channel MedChem Express HY-15255
      Membrane Tranporter/Ion Channel; MedChem Express HY-15255
      P-glycoprotein MedChem Express HY-15255
      Zosuquidar (LY335979) is a potent modulator of P-glycoprotein-mediated multi-drug resistance with Ki of 60 nM. MedChem Express
      Zosuquidar (LY335979) is a potent modulator of P-glycoprotein-mediated multi-drug resistance with Ki of 60 nM.; IC50 value: 60 nM (Ki); Target: P-glycoprotein; Zosuquidar (LY335979) is a potent modulator of P-glycoprotein-mediated multidrug resistance with Ki of 60 nM. MedChem Express HY-15255
      Zosuquidar (LY335979) is a potent modulator of P-glycoprotein-mediated multi-drug resistance with Ki of 60 nM.;IC50 value: 60 nM (Ki);Target: P-glycoproteinZosuquidar (LY335979) is a potent modulator of P-glycoprotein-mediated multidrug resistance with Ki of 60 nM. Zosuquidar binds with high affinity to P-glycoprotein and inhibits P-glycoprotein-mediated multidrug resistance (MDR). P-glycoprotein, encoded by the MDR-1 gene, is a member of the ATP-binding cassette superfamily of transmembrane transporters and prevents the intracellular accumulation of many natural product-derived cytotoxic agents. Zosuquidar is a compound of antineoplastic drug candidates currently under development. MedChem Express HY-15255

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

Density: 1.4±0.1 g/cm3
Boiling Point: 690.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 371.4±31.5 °C
Index of Refraction: 1.691
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 36.50
ACD/KOC (pH 5.5): 145.84
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1249.33
ACD/KOC (pH 7.4): 4991.95
Polar Surface Area: 49 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 385.4±5.0 cm3

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