4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(1-piperazinyl)propoxy]-3-quinolinecarbonitrile

CAS: 380843-81-2

Ref. TR-D435305

Product Information

• Name: 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(1-piperazinyl)propoxy]-3-quinolinecarbonitrile
• Synonyms: N-Desmethyl Bosutinib
• Brand: TRC
• Description: Applications Proteolysis Targeting Chimera (PROTAC) is a novel approach to modern drug development programs that utilizes small compounds to target proteins for ubiquitination and degradation by proteasome. 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(1-piperazinyl)propoxy]-3-quinolinecarbonitrile is a PROTAC compound, which has the potential to target oncogenic BCR-ABL for degradation. 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(1-piperazinyl)propoxy]-3-quinolinecarbonitrile has also been employed in ligand-based pharmacophore modelling to identify c-Src inhibitors.References Lai, A. C., et al., Angew. Chem. Int. Ed. 55, 807 (2016); Sakkiah, S., et al., J. Enzyme Inhib. Med. Chem. 29, 69 (2014)

Chemical properties

• Molecular weight: 516.42
• Formula: C₂₅H₂₇Cl₂N₅O₃
• Color/Form: Light Brown
• InChI: InChI=1S/C25H27Cl2N5O3/c1-33-22-13-21(18(26)11-19(22)27)31-25-16(14-28)15-30-20-12-24(23(34-2)10-17(20)25)35-9-3-6-32-7-4-29-5-8-32/h10-13,15,29H,3-9H2,1-2H3,(H,30,31)
• SMILES: COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCNCC4)c(OC)cc23)c(Cl)cc1Cl