Ceritinib-d7

CAS: 1632484-77-5

Ref. TR-C367367

Product Information

• Name: Ceritinib-d7
• Synonyms: 5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine

Description

Applications Ceritinib-d7 is derived from 2-Chloro-4-fluoro-5-nitrotoluene (C366770), which is used as a reagent in the synthesis of potent and selective anaplastic lymphoma kinase (ALK-5) inhibitors, used as an anti-tumor treatment. Also used in the synthesis of herbicides; Deuterium labelled analog of the drug Ceritinib (C367365).
References Marsilje, T. et al.: J. Med. Chem., 56, 5675 (2013); Theodoridis, G. et al.: Pest. Sci., 30, 259 (1990); Marsilje, T. H., et al.: J. Med. Chem., 56, 5675 (2013);

• Brand: TRC

Chemical properties

• Molecular weight: 565.178
• Formula: C₂₈D₇H₂₉ClN₅O₃S
• Color/Form: Neat
• InChI: InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)/i1D3,2D3,17D
• InChI key: InChIKey=VERWOWGGCGHDQE-WFBMWZOZSA-N
• SMILES: [2H]C([2H])([2H])C([2H])(Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C([2H])([2H])[2H]