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ChemSpider 2D Image | Lapatinib | C29H26ClFN4O4S

Lapatinib

  • Molecular FormulaC29H26ClFN4O4S
  • Average mass581.057 Da
  • Monoisotopic mass580.134705 Da
  • ChemSpider ID181006

More details:



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

4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]- [ACD/Index Name]
Lapatinib [INN]
N-{3-Chlor-4-[(3-fluorbenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-chinazolinamin [German] [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]-4-quinazolinamine [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phényl}-6-[5-({[2-(méthylsulfonyl)éthyl]amino}méthyl)-2-furyl]-4-quinazolinamine [French] [ACD/IUPAC Name]
N-{3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furyl]quinazolin-4-amine
N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine
[231277-92-2]
[5-[4-[[3-chloro-4-(3-fluorobenzyl)oxy-phenyl]amino]quinazolin-6-yl]-2-furyl]methyl-(2-mesylethyl)amine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

GSK 572016 [DBID]
GW 572016 [DBID]
GW-2016 [DBID]
GW-572016 [DBID]
nchembio866-comp20 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 094127
      P261; P262 Biosynth Q-101353
    • Target Organs:

      EGFR inhibitor; HER2 inhibitor TargetMol T0078
    • Bio Activity:

      EGFR MedChem Express HY-50898
      EGFR, ErbB2 TargetMol T0078
      JAK/STAT Signaling MedChem Express HY-50898
      JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; MedChem Express HY-50898
      Lapatinib(GW-572016) is a potent EGFR and ErbB2 inhibitor with IC50 of 10.8 and 9.2 nM, respectively. MedChem Express
      Lapatinib(GW-572016) is a potent EGFR and ErbB2 inhibitor with IC50 of 10.8 and 9.2 nM, respectively.; IC50 Value: 10.8 nM (EGFR); 9.2 nM (ErbB2); Target: EGFR/ErbB2; Lapatinib ditosylate is a selective and effective inhibitor of ErbB-2 and EGFR dual tyrosine kinases. MedChem Express HY-50898
      Lapatinib(GW-572016) is a potent EGFR and ErbB2 inhibitor with IC50 of 10.8 and 9.2 nM, respectively.;IC50 Value: 10.8 nM (EGFR); 9.2 nM (ErbB2);Target: EGFR/ErbB2Lapatinib ditosylate is a selective and effective inhibitor of ErbB-2 and EGFR dual tyrosine kinases. ErbB-2 and EGFR dual tyrosine kinases are growth promoting factors that are over expressed in some breast cancer cell lines. Research studies have reported that Lapatinib Ditosylate can inhibit breast cancer cell proliferation. MedChem Express HY-50898
      Tyrosine Kinase/Adaptors; JAK/STAT Signaling TargetMol T0078

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

Density: 1.4±0.1 g/cm3
Boiling Point: 750.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.8±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 152.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 385.29
ACD/KOC (pH 5.5): 1159.41
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5026.48
ACD/KOC (pH 7.4): 15125.46
Polar Surface Area: 115 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 420.7±3.0 cm3

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