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PELITINIB

Base Information
  • Chemical Name:PELITINIB
  • CAS No.:257933-82-7
  • Molecular Formula:C24H23ClFN5O2
  • Molecular Weight:467.93
  • Hs Code.:
  • European Community (EC) Number:803-625-4
  • NSC Number:729742
  • UNII:X5DWL380Z6
  • Nikkaji Number:J1.416.529K,J3.342.792A
  • Wikidata:Q27088290
  • NCI Thesaurus Code:C2713
  • Pharos Ligand ID:DJS64HFNMR9X
  • Metabolomics Workbench ID:56074
  • ChEMBL ID:CHEMBL607707
  • Mol file:257933-82-7.mol
PELITINIB

Synonyms:WAY-EKB 569;(2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide;EKB 569;Pelitinib;

Suppliers and Price of PELITINIB
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • Usbiological
  • Pelitinib
  • 5mg
  • $ 496.00
  • TRC
  • Pelitinib
  • 10mg
  • $ 170.00
  • Tocris
  • Pelitinib ≥97%(HPLC)
  • 5
  • $ 90.00
  • Tocris
  • Pelitinib ≥97%(HPLC)
  • 25
  • $ 347.00
  • TCI Chemical
  • Pelitinib >97.0%(HPLC)
  • 100mg
  • $ 346.00
  • TCI Chemical
  • Pelitinib >97.0%(HPLC)
  • 25mg
  • $ 127.00
  • Sigma-Aldrich
  • Pelitinib ≥98% (HPLC)
  • 5mg
  • $ 124.00
  • Sigma-Aldrich
  • Pelitinib ≥98% (HPLC)
  • 25mg
  • $ 497.00
  • Matrix Scientific
  • (E)-N-(4-(3-Chloro-4-fluorophenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide 95%
  • 1g
  • $ 4626.00
  • Matrix Scientific
  • (E)-N-(4-(3-Chloro-4-fluorophenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide 95%
  • 100mg
  • $ 2013.00
Total 72 raw suppliers
Chemical Property of PELITINIB
Chemical Property:
  • Appearance/Colour:off-white solid 
  • Vapor Pressure:4.64E-17mmHg at 25°C 
  • Melting Point:173-178°C 
  • Refractive Index:1.644 
  • Boiling Point:655.5 °C at 760 mmHg 
  • PKA:12.23±0.43(Predicted) 
  • Flash Point:350.2 °C 
  • PSA:90.28000 
  • Density:1.34 g/cm3 
  • LogP:5.24358 
  • Storage Temp.:-20°C Freezer 
  • Solubility.:DMSO: soluble5mg/mL, clear (warmed) 
  • XLogP3:4.5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Rotatable Bond Count:8
  • Exact Mass:467.1524308
  • Heavy Atom Count:33
  • Complexity:729
Purity/Quality:

99%, *data from raw suppliers

Pelitinib *data from reagent suppliers

Safty Information:
  • Pictogram(s):
  • Hazard Codes:
  • Statements: 25 
  • Safety Statements: 45 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)C=CCN(C)C
  • Isomeric SMILES:CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C
  • Recent ClinicalTrials:CCI-779 and EKB-569 in Treating Patients With Advanced Solid Tumors
  • Description Pelitinib is a cyanoquinoline that irreversibly inhibits the EGFR receptor tyrosine kinase (IC50 = 39 nM). It inhibits HER2 with a much weaker potency (IC50 = 1.2 μM). By disrupting Akt and MAPK pathways, pelitinib can induce apoptosis and suppress the growth of tumor cell lines, displaying particularly strong efficacy against hepatocellular carcinoma cells (IC50s = ~2 μM).
  • Uses Pelitinib is a 3-cyanoquinoline pan-ErbB tyrosine kinase inhibitor with potential antineoplastic activity. An EGFR inhibitor Labelled Pelitinib (P218702). A tyrosine kinase inhibitor; it is used to prepare formulation for treating primary or secondary cancer.
Technology Process of PELITINIB

There total 17 articles about PELITINIB which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 38.7%

Guidance literature:
Guidance literature:
4-bromocrotonyl chloride; 6-amino-4-(3-chloro-4-fluoro-phenylamino)-7-ethoxy-quinoline-3-carbonitrile; With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran;
dimethyl amine; In tetrahydrofuran; at 20 ℃; Further stages.;
DOI:10.1021/jm020241c
Guidance literature:
Multi-step reaction with 3 steps
1.1: 95 percent / propan-2-ol / 3.5 h / Heating
2.1: 89 percent / Fe; aq. NH4Cl / methanol / 4 h / Heating
3.1: iPr2NEt / tetrahydrofuran
3.2: tetrahydrofuran / 20 °C
With iron; ammonium chloride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; isopropyl alcohol;
DOI:10.1021/jm020241c
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