The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen was written by Riggs, Jennifer R.;Nagy, Mark;Elsner, Jan;Erdman, Paul;Cashion, Dan;Robinson, Dale;Harris, Roy;Huang, Dehua;Tehrani, Lida;Deyanat-Yazdi, Gordafaried;Narla, Rama Krishna;Peng, Xiaohui;Tran, Tam;Barnes, Leo;Miller, Terra;Katz, Jason;Tang, Yang;Chen, Ming;Moghaddam, Mehran F.;Bahmanyar, Sogole;Pagarigan, Barbra;Delker, Silvia;LeBrun, Laurie;Chamberlain, Philip P.;Calabrese, Andrew;Canan, Stacie S.;Leftheris, Katerina;Zhu, Dan;Boylan, John F.. And the article was included in Journal of Medicinal Chemistry in 2017.Computed Properties of C6H2Cl2IN3 This article mentions the following:
Triple neg. breast cancer (TNBC) remains a serious unmet medical need with discouragingly high relapse rates. The authors report here the synthesis and structure-activity relationship (SAR) of a novel series of 2,4,5-trisubstituted-7H-pyrrolo[2,3-d]pyrimidines with potent activity against TNBC tumor cell lines. These compounds were discovered from a TNBC phenotypic screen and possess a unique dual inhibition profile targeting TTK (mitotic exit) and CLK2 (mRNA splicing). Design and optimization, driven with a TNBC tumor cell assay, identified potent and selective compounds with favorable in vitro and in vivo activity profiles and good iv PK properties. This cell-based driven SAR produced compounds with strong single agent in vivo efficacy in multiple TNBC xenograft models without significant body weight loss. These data supported the nomination of CC-671 (compound I) into IND-enabling studies as a single agent TNBC therapy. In the experiment, the researchers used many compounds, for example, 2,4-Dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (cas: 1012785-51-1Computed Properties of C6H2Cl2IN3).
2,4-Dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine (cas: 1012785-51-1) belongs to iodide derivatives. Typical reactions of alkyl iodides include nucleophilic substitution, elimination, reduction, and the formation of organometallics. A typical method for synthesis of aromatic iodides is diazotization of primary aromatic amines followed by treatment of potassium iodide. Aliphatic alcohols are converted to alkyl iodides by treating with hydrogen iodide.Computed Properties of C6H2Cl2IN3
Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com