Computed Properties of C6H13NOIn 2021 ,《Discovery of the Selective Protein Kinase C-θ Kinase Inhibitor, CC-90005》 appeared in Journal of Medicinal Chemistry. The author of the article were Papa, Patrick; Whitefield, Brandon; Mortensen, Deborah S.; Cashion, Dan; Huang, Dehua; Torres, Eduardo; Parnes, Jason; Sapienza, John; Hansen, Joshua; Correa, Matthew; Delgado, Mercedes; Harris, Roy; Hegde, Sayee; Norris, Stephen; Bahmanyar, Sogole; Plantevin-Krenitsky, Veronique; Liu, Zheng; Leftheris, Katerina; Kulkarni, Ashutosh; Bennett, Brydon; Hur, Eun Mi; Ringheim, Garth; Khambatta, Godrej; Chan, Henry; Muir, Jeffrey; Blease, Kate; Burnett, Kelven; LeBrun, Laurie; Morrison, Lisa; Celeridad, Maria; Khattri, Roli; Cathers, Brian E.. The article conveys some information:
The PKC-θ isoform of protein kinase C is selectively expressed in T lymphocytes and plays an important role in the T cell antigen receptor (TCR)-triggered activation of mature T cells, T cell proliferation, and the subsequent release of cytokines such as interleukin-2 (IL-2). Herein, we report the synthesis and structure-activity relationship (SAR) of a novel series of PKC-θ inhibitors. Through a combination of structure-guided design and exploratory SAR, suitable replacements for the basic C4 amine of the original lead (3) were identified. Property-guided design enabled the identification of appropriately substituted C2 groups to afford potent analogs with metabolic stability and permeability to support in vivo testing. With exquisite general kinase selectivity, cellular inhibition of T cell activation as assessed by IL-2 expression, a favorable safety profile, and demonstrated in vivo efficacy in models of acute and chronic T cell activation with oral dosing, CC-90005 (57) was selected for clin. development. The experimental part of the paper was very detailed, including the reaction process of trans-4-Aminocyclohexanol(cas: 27489-62-9Computed Properties of C6H13NO)
trans-4-Aminocyclohexanol(cas: 27489-62-9) belongs to anime. Reaction with nitrous acid (HNO2), which functions as an acylating agent that is a source of the nitrosyl group (―NO), converts aliphatic primary amines to nitrogen and mixtures of alkenes and alcohols corresponding to the alkyl group in a complex process. This reaction has been used for analytical determination of primary amino groups in a procedure known as the Van Slyke method.Computed Properties of C6H13NO
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