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Search term: OUKYUETWWIPKQR (Found by InChIKey (skeleton match))
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]
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
N-(5-chloro-2H-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
saracatinib [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9017 [DBID]
AZD0530 [DBID]
AZD-0530 [DBID]
nchembio866-comp19 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A member of the class of quinazolines that is quinazoline substituted by (5-chloro-2H-1,3-benzodioxol-4-yl)amino, (oxan-4-yl)oxy and 2-(4-methylpiperazin-1-yl)ethoxy groups at positions 4, 5 and 7, re spectively. It is a dual inhibitor of the tyrosine kinases c-Src and Abl (IC50 = 2.7 and 30 nM, respectively). Saracatinib was originally developed by AstraZeneca for the treatment of cancer but in 20 19 it was granted orphan drug designation by the US Food and Drug Administration for the treatment of idiopathic pulmonary fibrosis (IPF), a type of lung disease that results in scarring (fibrosis) of the lungs. ChEBI CHEBI:47458

    • 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, version: 14.00

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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