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Technology Process of Bafetinib

Bafetinib

Base Information
  • Chemical Name:Bafetinib
  • CAS No.:859212-16-1
  • Molecular Formula:C30H31F3N8O
  • Molecular Weight:576.62
  • Hs Code.:
  • UNII:NVW4Z03I9B
  • ChEMBL ID:CHEMBL206834
  • DSSTox Substance ID:DTXSID001006512
  • Metabolomics Workbench ID:152941
  • NCI Thesaurus Code:C62516
  • Nikkaji Number:J2.287.708I
  • Pharos Ligand ID:T7B8CVK32HMK
  • Wikidata:Q799775
  • Wikipedia:Bafetinib
  • Mol file:859212-16-1.mol
Bafetinib

Synonyms:bafetinib;INNO-406;N-(3-((4,5'-bipyrimidin)-2-ylamino)-4-methylphenyl)-4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide;NS-187

Suppliers and Price of Bafetinib
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
  • TRC
  • Bafetinib
  • 5mg
  • $ 90.00
  • Labseeker
  • 4-[[(3S)-3-Dimethylaminopyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluor 95
  • 25mg
  • $ 6125.00
  • DC Chemicals
  • Bafetinib(INNO-406) >98%
  • 1 g
  • $ 1450.00
  • ChemScene
  • Bafetinib 99.80%
  • 5mg
  • $ 90.00
  • ChemScene
  • Bafetinib 99.80%
  • 10mg
  • $ 130.00
  • ChemScene
  • Bafetinib 99.80%
  • 100mg
  • $ 450.00
  • ChemScene
  • Bafetinib 99.80%
  • 50mg
  • $ 250.00
  • Cayman Chemical
  • Bafetinib ≥98%
  • 10mg
  • $ 190.00
  • Cayman Chemical
  • Bafetinib ≥98%
  • 1mg
  • $ 39.00
  • Cayman Chemical
  • Bafetinib ≥98%
  • 5mg
  • $ 104.00
Total 43 raw suppliers
Chemical Property of Bafetinib
Chemical Property:
  • Melting Point:166-168°C 
  • PKA:12.72±0.70(Predicted) 
  • PSA：99.17000 
  • Density:1.36 g/cm3 
  • LogP:5.47650 
  • Storage Temp.:Refrigerator 
  • XLogP3:4.2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:11
  • Rotatable Bond Count:8
  • Exact Mass:576.25729213
  • Heavy Atom Count:42
  • Complexity:872
Purity/Quality:

99% *data from raw suppliers

Bafetinib *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCC(C3)N(C)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CN=C5
  • Isomeric SMILES:CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CC[C@@H](C3)N(C)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CN=C5
  • Recent ClinicalTrials:Bafetinib in Treating Patients With Recurrent High-Grade Glioma or Brain Metastases
  • Description Bcr-Abl, a fusion protein with deregulated tyrosine kinase activity, is highly expressed in chronic myelogenous leukemia (CML). Bafetinib is a rationally developed tyrosine kinase inhibitor based on the chemical structure of imatinib , with modifications added to improve binding and potency against Bcr-Abl kinase (IC50 = 5.8 nM). It is 25- to 55-fold more potent than imatinib in vitro and ≥10-fold more potent in vivo. Bafetinib inhibits 12 out of the 13 most frequent imatinib-resistant Bcr-Abl point mutations, but not the T315I mutation and also targets the Src family kinase Lyn (IC50 = 19 nM), which has been associated with resistance to imatinib in CML.
  • Uses A substituted benzamide derivative structurally related to STI-571 (Imatinib Mesylate). It was identified as highly potent Bcr-Abl kinase inhibitor.
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