5-isopropyl-3-methylpicolinonitrile | 1448776-84-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-isopropyl-3-methylpicolinonitrile
• 英文别名: 3-Methyl-5-propan-2-ylpyridine-2-carbonitrile；3-methyl-5-propan-2-ylpyridine-2-carbonitrile
• CAS: 1448776-84-8
• 化学式: C₁₀H₁₂N₂
• 分子量: 160.219
• InChiKey: QKRMPWNHRXVDIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-氰基-3-甲基吡啶 、 bis-(((isopropyl)sulfinyl)oxy)zinc 在 叔丁基过氧化氢 、 zinc sulfinate 、 zinc trifluoromethanesulfinate 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 14.0h， 以14%的产率得到5-isopropyl-3-methylpicolinonitrile
  参考文献：
  名称：

  缺电子杂芳烃的基于自由基的区域选择性 C-H 官能化：范围、可调性和可预测性

  摘要：

  自由基加成过程非常适合杂芳烃碱基的直接官能化，但由于对区域化学的控制不佳或不可靠，这些过程仅很少使用。对影响使用烷基亚磺酸盐的杂环自由基官能化的区域化学的因素进行的系统研究表明，某些类型的取代基对取代的区域选择性产生一致和相加的影响。这使我们能够建立预测复杂 π 缺陷杂芳烃（包括吡啶、嘧啶、哒嗪和吡嗪）的区域选择性的指南。由于相反导向因素的相对贡献取决于溶剂和 pH 值，因此有时可以通过修改反应条件将区域化学调整为所需的结果。

  DOI：

  10.1021/ja406223k

文献信息

• CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME
  申请人：Arvinas, Inc.

  公开号：US20180215731A1

  公开（公告）日：2018-08-02

  The description relates to cereblon E3 ligase binding compounds, including bifunctional compounds comprising the same, which find utility as modulators of targeted ubiquitination, especially inhibitors of a variety of polypeptides and other proteins which are degraded and/or otherwise inhibited by bifunctional compounds according to the present disclosure. In particular, the description provides compounds, which contain on one end a ligand which binds to the cereblon E3 ubiquitin ligase and on the other end a moiety which binds a target protein such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of that protein. Compounds can be synthesized that exhibit a broad range of pharmacological activities consistent with the degradation/inhibition of targeted polypeptides of nearly any type.

  该描述涉及cereblon E3连接酶结合化合物，包括包含相同成分的双功能化合物，这些化合物作为靶向泛素化的调节剂具有实用价值，尤其是抑制剂，可降解和/或以其他方式抑制根据本公开的双功能化合物。特别是，该描述提供了化合物，其一端含有与cereblon E3泛素连接酶结合的配体，另一端含有与目标蛋白结合的部分，使目标蛋白位于泛素连接酶附近以降解（和抑制）该蛋白。可以合成表现出广泛药理活性的化合物，与几乎所有类型的靶向多肽的降解/抑制一致。
• SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS
  申请人：GlaxoSmithKline Intellectual Property (No.2) Limited

  公开号：US20170355705A1

  公开（公告）日：2017-12-14

  The present invention relates to novel substituted bridged urea analog compounds of Formula (I) or pharmaceutically acceptable salts thereof, corresponding pharmaceutical compositions, processes for making and use of such compounds, alone or in combination with other therapeutic agents, as Sirtuin Modulators useful for increasing lifespan of a cell, and for use in treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity.
• TRICYCLIC GYRASE INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20170369498A1

  公开（公告）日：2017-12-28

  Disclosed herein are compounds having the structure of Formula I and pharmaceutically suitable salts, esters, and prodrugs thereof that are useful as antibacterially effective tricyclic gyrase inhibitors. Related pharmaceutical compositions, uses and methods of making the compounds are also contemplated.
• [EN] INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS<br/>[FR] SULFAMIDE D'INDOLE MODULATEUR DE RÉCEPTEURS DE LA PROGESTÉRONE
  申请人：LILLY CO ELI

  公开号：WO2007087488A9

  公开（公告）日：2008-08-28

  [EN] Compounds of Formula (I), wherein n is 1 or 2, and R1, R2, R3, R4, R5, R6, R7, and R8 are as defined herein, their preparation, pharmaceutical compositions, and methods of use are disclosed.
  [FR] La présente invention concerne des composés de formule (I), dans laquelle: n et 1 ou 2, et R1, R2, R3, R4, R5, R6, R7, et R8 sont tels que définis dans la description, ainsi que leur préparation, leurs compositions pharmaceutiques, et leurs procédés d'utilisation.
• Radical-Based Regioselective C–H Functionalization of Electron-Deficient Heteroarenes: Scope, Tunability, and Predictability
  作者：Fionn O’Hara、Donna G. Blackmond、Phil S. Baran

  DOI：10.1021/ja406223k

  日期：2013.8.14

  of substituents exert consistent and additive effects on the regioselectivity of substitution. This allowed us to establish guidelines for predicting regioselectivity on complex π-deficient heteroarenes, including pyridines, pyrimidines, pyridazines, and pyrazines. Since the relative contribution from opposing directing factors was dependent on solvent and pH, it was sometimes possible to tune the regiochemistry

  自由基加成过程非常适合杂芳烃碱基的直接官能化，但由于对区域化学的控制不佳或不可靠，这些过程仅很少使用。对影响使用烷基亚磺酸盐的杂环自由基官能化的区域化学的因素进行的系统研究表明，某些类型的取代基对取代的区域选择性产生一致和相加的影响。这使我们能够建立预测复杂 π 缺陷杂芳烃（包括吡啶、嘧啶、哒嗪和吡嗪）的区域选择性的指南。由于相反导向因素的相对贡献取决于溶剂和 pH 值，因此有时可以通过修改反应条件将区域化学调整为所需的结果。