4,4-dimethyl-1-piperidine-1-ylpentan-1-one | 1404378-97-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4,4-dimethyl-1-piperidine-1-ylpentan-1-one
• 英文别名: 4,4-dimethyl-1-(piperidin-1-yl)pentan-1-one；4,4-Dimethyl-1-piperidin-1-ylpentan-1-one
• CAS: 1404378-97-7
• 化学式: C₁₂H₂₃NO
• 分子量: 197.321
• InChiKey: KXMRALYJEJPWOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4,4-dimethyl-1-piperidine-1-ylpentan-1-one 在 bis(triphenylphosphine)iridium(I) carbonyl chloride 、 叔丁基二苯基氯硅烷 作用下， 以 甲苯 为溶剂， 以40.7 g的产率得到1-(4,4-dimethyl-1-pentenyl)piperidine
  参考文献：
  名称：

  JTE-151 的发现和 SAR：用于临床开发的新型 RORγ 抑制剂

  摘要：

  在过去的十年中，已经报道了许多 RORγ 抑制剂。还有一些进入人体临床试验的例子，但尚未进入市场，这表明它们未来的发展可能存在共同的障碍。正如从核受体配体的一般同源性所预期的那样，选择性不足以及理化性质差被认为是 RORγ 程序的潜在风险。基于这些考虑，我们通过优先考虑类药​​物特性来进行 SAR 调查，以减轻此类潜在缺陷。经过深入的SAR探索，重点关注“药物相似性”指标，最终产生了口服RORγ抑制剂JTE-151，并进入人体临床试验。该化合物被证实具有高度选择性和良好的代谢稳定性，最有益的是，在人体临床试验中没有观察到严重的不良事件 (SAE) 和良好的 PK 特性。

  DOI：

  10.1021/acs.jmedchem.3c01933
• 作为产物：
  描述：

  β-tert-butylacrylic acid 在 palladium 10% on activated carbon 、 氢气 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 10.5h， 生成 4,4-dimethyl-1-piperidine-1-ylpentan-1-one
  参考文献：
  名称：

  TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF

  摘要：

  由式[I]表示的化合物： 或其药学上可接受的盐，其中每个符号如描述中所定义。

  公开号：

  US20160137639A1

文献信息

• AMIDE COMPOUND AND MEDICINAL USE THEREOF
  申请人：Maeba Takaki

  公开号：US20120322837A1

  公开（公告）日：2012-12-20

  A compound of formula [I-W]: wherein each symbol is as defined in the description, or a pharmaceutically acceptable salt thereof.

  翻译结果为：具有公式[I-W]的化合物：其中每个符号如描述中定义，或其药物可接受的盐。
• Nitrosated and nitrosylated cardiovascular compounds, compositions and methods of use
  申请人：Garvey S. David

  公开号：US20070010571A1

  公开（公告）日：2007-01-11

  The invention describes novel nitrosated and/or nitrosylated cardiovascular compounds or pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated and/or nitrosylated cardiovascular compound, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides novel compositions and kits comprising at,least one cardiovascular compound of the invention, that is optionally nitrosated and/or nitrosylated, and, optionally, at least one nitric oxide donor compound and/or at least one therapeutic agent. The invention also provides methods for (a) treating cardiovascular diseases; (b) treating renovascular diseases; (c) treating diabetes; (d) treating diseases resulting from oxidative stress; (e) treating endothelial dysfunctions; (f) treating diseases caused by endothelial dysfunctions; (g) treating cirrhosis; (h) treating pre-eclampsia; (j) treating osteoporosis; and (k) treating nephropathy. The nitrosated and/or nitrosylated cardiovascular compounds are preferably nitrosated and/or nitrosylated P-adrenergic antagonists, nitrosated and/or nitrosylated angiotensinconverting enzyme (ACE) inhibitors, nitrosated and/or nitrosylated anti-hyperlipidemic compounds, and nitrosated and/or nitrosylated antithrombotic and vasodilator compounds.

  该发明描述了新型的硝化和/或亚硝化心血管化合物或其药学上可接受的盐，以及包含至少一种硝化和/或亚硝化心血管化合物的新型组合物和，可选地，至少一种一氧化氮供体和/或至少一种治疗剂。该发明还提供了包含该发明中至少一种心血管化合物的新型组合物和试剂盒，该心血管化合物可选地被硝化和/或亚硝化，可选地包括至少一种一氧化氮供体化合物和/或至少一种治疗剂。该发明还提供了治疗心血管疾病、治疗肾血管疾病、治疗糖尿病、治疗氧化应激导致的疾病、治疗内皮功能障碍、治疗由内皮功能障碍引起的疾病、治疗肝硬化、治疗先兆子痫、治疗骨质疏松症和治疗肾病的方法。硝化和/或亚硝化心血管化合物优选为硝化和/或亚硝化P-肾上腺素受体拮抗剂、硝化和/或亚硝化血管紧张素转化酶（ACE）抑制剂、硝化和/或亚硝化抗高脂化合物和硝化和/或亚硝化抗血栓和血管扩张化合物。
• Nitrosated and Nitrosylated Compounds, Compositions and Methods for the Treatment of Ophthalmic Disorders
  申请人：Letts L. Gordon

  公开号：US20080300292A1

  公开（公告）日：2008-12-04

  The invention describes novel nitrosated and/or nitrosylated compounds or pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated and/or nitrosylated compound, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides novel compositions and kits comprising at least one compound of the invention, that is optionally nitrosated and/or nitrosylated, and, optionally, at least one nitric oxide donor compound and/or at least one therapeutic agent. The invention also provides methods for treating ophthalmic disorders. The nitrosated and/or nitrosylated compounds are preferably nitrosated and/or nitrosylated (3-adrenergic antagonists and nitrosated and/or nitrosylated angiotensin-converting enzyme (ACE) inhibitors.

  本发明描述了新型的硝化和/或亚硝化化合物或其药学上可接受的盐，以及至少包含一种硝化和/或亚硝化化合物的新型组合物，以及可选地，至少一种一氧化氮供体和/或至少一种治疗剂。本发明还提供了至少包含本发明化合物的新型组合物和套件，该化合物可选择进行硝化和/或亚硝化，以及可选地，至少一种一氧化氮供体化合物和/或至少一种治疗剂。本发明还提供了治疗眼科疾病的方法。硝化和/或亚硝化化合物最好是硝化和/或亚硝化的（3-肾上腺素受体拮抗剂和硝化和/或亚硝化的血管紧张素转换酶（ACE）抑制剂）。
• Nitrosated glutamic acid compounds, compositions and methods of use
  申请人：Garvey S. David

  公开号：US20070037821A1

  公开（公告）日：2007-02-15

  The invention describes novel nitrosated glutamic acid compounds and pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated glutamic acid compound, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides novel kits comprising at least one nitrosated glutamic acid compound, and, and, optionally, at least one nitric oxide donor compound and/or at least one therapeutic agent. The invention also provides methods for (a) treating cardiovascular diseases; (b) treating renovascular diseases; (c) treating diabetes; (d) treating diseases resulting from oxidative stress; (e) treating endothelial dysfunctions; (f) treating diseases caused by endothelial dysfunctions; (g) treating cirrhosis; (h) treating pre-eclampsia; (j) treating osteoporosis; (k) treating nephropathy; (l) treating diseases resulting from elevated levels of gamma-glutamyl transpeptidase and (m) the targeted delivery of compounds and nitric oxide to organs, cells or tissues containing the enzyme gamma-glutamyl transpeptidase.

  该发明描述了新型的硝化谷氨酸化合物及其药学上可接受的盐，以及包含至少一种硝化谷氨酸化合物，和/或至少一种一氧化氮供体和/或至少一种治疗剂的新型组合物。该发明还提供了包含至少一种硝化谷氨酸化合物，和/或至少一种一氧化氮供体化合物和/或至少一种治疗剂的新型试剂盒。该发明还提供了治疗心血管疾病、肾血管疾病、糖尿病、氧化应激引起的疾病、内皮功能障碍、内皮功能障碍引起的疾病、肝硬化、先兆子痫、骨质疏松症、肾病、γ-谷氨酰转移酶水平升高引起的疾病以及将化合物和一氧化氮有针对性地输送到含有γ-谷氨酰转移酶的器官、细胞或组织的方法。
• NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：EARL Richard A.

  公开号：US20100093671A1

  公开（公告）日：2010-04-15

  The invention describes novel nitrosated nonsteroidal antiinflammatory drugs (NSAIDs) and pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated NSAID, and, optionally, at least one compound that donates, transfers or releases nitric oxide, stimulates endogenous synthesis of nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor or is a substrate for nitric oxide synthase, and/or at least one therapeutic agent. The invention also provides novel compositions comprising at least one nitrosated NSAID, and at least one compound that donates, transfers or releases nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor, stimulates endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase and/or at least one therapeutic agent. The invention also provides novel kits comprising at least one nitrosated NSAID, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides methods for treating inflammation, pain and fever; for treating gastrointestinal disorders; for facilitating wound healing; for treating and/or preventing gastrointestinal, renal and/or respiratory toxicities resulting from the use of nonsteroidal antiinflammatory compounds; for treating inflammatory disease states and/or disorders; and for treating and/or preventing ophthalmic diseases and/or disorders.

  该发明描述了新型亚硝酰化非甾体抗炎药（NSAIDs）及其药学上可接受的盐，并且描述了至少包含一种亚硝酰化NSAID和可选的至少一种化合物的新型组合物，该化合物捐赠、转移或释放一氧化氮，刺激内源性一氧化氮的合成，提高内源性内皮源性松弛因子的水平或是一氧化氮合酶的底物，并/或至少包含一种治疗剂。该发明还提供了至少包含一种亚硝酰化NSAID和至少一种化合物的新型组合物，该化合物捐赠、转移或释放一氧化氮，提高内源性内皮源性松弛因子的水平，刺激内源性一氧化氮的合成或是一氧化氮合酶的底物，并/或至少包含一种治疗剂。该发明还提供了至少包含一种亚硝酰化NSAID，可选的至少一种一氧化氮供体和/或至少一种治疗剂的新型试剂盒。该发明还提供了治疗炎症、疼痛和发热的方法；治疗胃肠道疾病的方法；促进伤口愈合的方法；治疗和/或预防使用非甾体抗炎化合物导致的胃肠道、肾脏和/或呼吸道毒性的方法；治疗炎症性疾病状态和/或疾病的方法；以及治疗和/或预防眼科疾病和/或疾病的方法。