ChemSpider 2D Image | Tariquidar | C38H38N4O6

Tariquidar

  • Molecular FormulaC38H38N4O6
  • Average mass646.732 Da
  • Monoisotopic mass646.279114 Da
  • ChemSpider ID130650

More details:



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

206873-63-4 [RN]
3-Quinolinecarboxamide, N-[2-[[[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]amino]carbonyl]-4,5-dimethoxyphenyl]- [ACD/Index Name]
3-Quinolinecarboxamide,N-[2-[[[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]amino]carbonyl]-4,5-dimethoxyphenyl]-
8201
J58862DTVD
N-[2-({4-[2-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)ethyl]phenyl}carbamoyl)-4,5-dimethoxyphenyl]-3-chinolincarboxamid [German] [ACD/IUPAC Name]
N-[2-({4-[2-(6,7-Diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)éthyl]phényl}carbamoyl)-4,5-diméthoxyphényl]-3-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[2-({4-[2-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]phenyl}carbamoyl)-4,5-dimethoxyphenyl]-3-quinolinecarboxamide [ACD/IUPAC Name]
N-[2-({4-[2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl]phenyl}carbamoyl)-4,5-dimethoxyphenyl]quinoline-3-carboxamide
N-[2-[[4-[2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

XR 9576 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1960
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1960
      IRRITANT Matrix Scientific 098181
      no pictogram Axon Medchem 1960
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1960
      Warning Axon Medchem 1960
    • Bio Activity:

      Membrane Tranporter/Ion Channel MedChem Express HY-10550
      Membrane Tranporter/Ion Channel; MedChem Express HY-10550
      P-glycoprotein MedChem Express HY-10550
      Tariquidar (XR9576) is a potent and selective noncompetitive inhibitor of P-glycoprotein with Kd of 5.1 nM, reverses drug resistance in MDR cell Lines. MedChem Express
      Tariquidar (XR9576) is a potent and selective noncompetitive inhibitor of P-glycoprotein with Kd of 5.1 nM, reverses drug resistance in MDR cell Lines.; IC50 value: 5.1 nM (Kd) [1]; Target: P-glycoprotein; in vitro: Tariquidar displays high-affinity binding to P-gp with Bmax of 275 pmol/mg. MedChem Express HY-10550

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

Density: 1.3±0.1 g/cm3
Boiling Point: 716.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 386.8±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 187.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 46.03
ACD/KOC (pH 5.5): 125.23
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 2269.98
ACD/KOC (pH 7.4): 6175.56
Polar Surface Area: 111 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 506.7±3.0 cm3

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