1422986-57-9

Basic information

• Product Name: C₁₃H₂₀BrNO₆S₂
• Synonyms: C₁₃H₂₀BrNO₆S₂
• CAS NO: 1422986-57-9
• Molecular Weight: 430.341
• Mol File: 1422986-57-9.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: C₁₃H₂₀BrNO₆S₂(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₃H₂₀BrNO₆S₂(1422986-57-9)
• EPA Substance Registry System: C₁₃H₂₀BrNO₆S₂(1422986-57-9)

Safety Data

• Hazardous Substances Data: 1422986-57-9(Hazardous Substances Data)

Upstream product

• 956616-10-7 2-[(4-bromo-3-methylphenyl)-(2-hydroxyethyl)amino]ethanol 
• 124-63-0 methanesulfonyl chloride 
• 6933-10-4 amino-5-bromo-2-toluene 

Downstream Products

• 1563058-12-7 C₃₂H₃₉NO₃S₄ 
• 1563057-70-4 N,N-di(2-iodoethyl)-4-bromo-3-methylaniline 
• 1563057-73-7 N,N-di(3,6-dithiaoctyl)-4-bromo-3-methylaniline 
• 1422986-52-4 N,N-bis(2-chloroethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline 
• 1280559-26-3 4-bromo-N,N-bis(2-chloroethyl)-3-methylaniline 

Relevant articles and documents

Discovery and Optimization of Novel Hydrogen Peroxide Activated Aromatic Nitrogen Mustard Derivatives as Highly Potent Anticancer Agents

We describe several new aromatic nitrogen mustards with various aromatic substituents and boronic esters that can be activated with H2O2 to efficiently cross-link DNA. In vitro studies demonstrated the anticancer potential of these compounds at lower concentrations than those of other clinically used chemotherapeutics, such as melphalan and chlorambucil. In particular, compound 10, bearing an amino acid ester chain, is selectively cytotoxic toward breast cancer and leukemia cells that have inherently high levels of reactive oxygen species. Importantly, 10 was 10-14-fold more efficacious than melphalan and chlorambucil for triple-negative breast-cancer (TNBC) cells. Similarly, 10 is more toxic toward primary chronic-lymphocytic-leukemia cells than either chlorambucil or the lead compound, 9. The introduction of an amino acid side chain improved the solubility and permeability of 10. Furthermore, 10 inhibited the growth of TNBC tumors in xenografted mice without obvious signs of general toxicity, making this compound an ideal drug candidate for clinical development.