ChemSpider 2D Image | Saracatinib | C27H32ClN5O5

Saracatinib

  • Molecular FormulaC27H32ClN5O5
  • Average mass542.026 Da
  • Monoisotopic mass541.209167 Da
  • ChemSpider ID8477917

More details:






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

379231-04-6 [RN]
4-Quinazolinamine, N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methyl-1-piperazinyl)ethoxy]-5-[(tetrahydro-2H-pyran-4-yl)oxy]- [ACD/Index Name]
9017
9KD24QGH76
N-(5-Chlor-1,3-benzodioxol-4-yl)-7-[2-(4-methyl-1-piperazinyl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)-4-chinazolinamin [German] [ACD/IUPAC Name]
N-(5-Chloro-1,3-benzodioxol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine
N-(5-Chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methyl-1-piperazinyl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)-4-quinazolinamine [ACD/IUPAC Name]
N-(5-Chloro-1,3-benzodioxol-4-yl)-7-[2-(4-méthyl-1-pipérazinyl)éthoxy]-5-(tétrahydro-2H-pyran-4-yloxy)-4-quinazolinamine [French] [ACD/IUPAC Name]
N-(5-Chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine
saracatinib [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AZD0530 [DBID]
AZD-0530 [DBID]
nchembio866-comp19 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      P261; P262 Biosynth Q-201699
    • Bio Activity:

      Protein Tyrosine Kinase/RTK MedChem Express HY-10234
      Protein Tyrosine Kinase/RTK; MedChem Express HY-10234
      Saracatinib (AZD0530) is a potent Src inhibitor with IC50 of 2.7 nM, and potent to c-Yes, Fyn, Lyn, Blk, Fgr and Lck; less active for Abl and EGFR (L858R and L861Q). MedChem Express
      Saracatinib (AZD0530) is a potent Src inhibitor with IC50 of 2.7 nM, and potent to c-Yes, Fyn, Lyn, Blk, Fgr and Lck; less active for Abl and EGFR (L858R and L861Q).; IC50 value: 2.7 nM(c-Src); 30 nM (v-Abl) [1]; Target: c-Src; v-Abl; in vitro: Saracatinib also potently inhibits other Src tyrosine kinase family members including c-Yes, Fyn, Lyn, Blk, Fgr, and Lck with IC50 from 4-10 nM. MedChem Express HY-10234
      Src MedChem Express HY-10234

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

Density: 1.3±0.1 g/cm3
Boiling Point: 671.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.8±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 145.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.35
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 43.85
ACD/KOC (pH 7.4): 397.45
Polar Surface Area: 90 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 401.8±3.0 cm3

Click to predict properties on the Chemicalize site






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