4-cyano-4-(2-methoxyethyl)piperidine-1-carboxylic acid tert-butyl ester | 1146664-34-7

• 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-cyano-4-(2-methoxyethyl)piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 4-cyano-4-(2-methoxyethyl)piperidine-1-carboxylate；Tert-butyl 4-cyano-4-(2-methoxyethyl)piperidine-1-carboxylate
• CAS: 1146664-34-7
• 化学式: C₁₄H₂₄N₂O₃
• 分子量: 268.356
• InChiKey: FHTSJBKMPDNRGR-UHFFFAOYSA-N

物化性质

• 沸点：
  371.5±27.0 °C(predicted)
• 密度：
  1.06±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.56
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  62.56
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-cyano-4-(2-methoxyethyl)piperidine-1-carboxylic acid tert-butyl ester 在 盐酸 、 氢气 、 potassium acetate 、 溶剂黄146 作用下， 以 甲醇 、 水 、 乙腈 为溶剂， 25.0~80.0 ℃ 、310.27 kPa 条件下， 反应 17.08h， 生成
  参考文献：
  名称：

  [EN] CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS
  [FR] COMPOSÉS MONOBACTAME AMIDINE CHROMANE POUR LE TRAITEMENT D'INFECTIONS BACTÉRIENNES

  摘要：

  The present invention relates to monobactam compounds of Formula (I):(Formula (I)) and pharmaceutically acceptable salts thereof. The present invention also relates to compositions which comprise a monobactam compound of structural formula I or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier. The invention further relates to methods for treating a bacterial infection comprising administering to the patient a therapeutically effective amount of a compound of structural formula I, either alone or in combination with a therapeutically effective amount of a second beta-lactam antibiotic.

  公开号：

  WO2024019916A2
• 作为产物：
  描述：

  2-溴乙基甲基醚 、 N-Boc-4-氰基哌啶 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 生成 4-cyano-4-(2-methoxyethyl)piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  [EN] CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS
  [FR] COMPOSÉS MONOBACTAME AMIDINE CHROMANE POUR LE TRAITEMENT D'INFECTIONS BACTÉRIENNES

  摘要：

  The present invention relates to monobactam compounds of Formula (I):(Formula (I)) and pharmaceutically acceptable salts thereof. The present invention also relates to compositions which comprise a monobactam compound of structural formula I or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier. The invention further relates to methods for treating a bacterial infection comprising administering to the patient a therapeutically effective amount of a compound of structural formula I, either alone or in combination with a therapeutically effective amount of a second beta-lactam antibiotic.

  公开号：

  WO2024019916A2

文献信息

• Molecular Periphery Design Allows Control of the New Nitrofurans Antimicrobial Selectivity
  作者：Lyubov Vinogradova、Alexey Lukin、Kristina Komarova、Maxim Zhuravlev、Artem Fadeev、Mikhail Chudinov、Elizaveta Rogacheva、Lyudmila Kraeva、Maxim Gureev、Yuri Porozov、Marine Dogonadze、Tatiana Vinogradova

  DOI：10.3390/molecules29143364

  日期：——

  A series of 13 new 3-substituted 5-(5-nitro-2-furyl)-1,2,4-oxadiazoles was synthesized from different aminonitriles. All compounds were screened in the disc diffusion test at a 100 μg/mL concentration to determine the bacterial growth inhibition zone presence and diameter, and then the minimum inhibitory concentrations (MICs) were determined for the most active compounds by serial dilution. The compounds

  由不同的氨基腈合成了一系列 13 种新的 3-取代 5-(5-硝基-2-呋喃基)-1,2,4-恶二唑。所有化合物均以 100 μg/mL 浓度在纸片扩散测试中进行筛选，以确定细菌生长抑制区的存在和直径，然后通过连续稀释确定最活跃化合物的最低抑菌浓度 (MIC)。这些化合物对 ESKAPE 细菌表现出抗菌活性，主要抑制 5 种细菌的生长。与环丙沙星、呋喃妥因和呋喃嗪相比，一些化合物对 ESKAPE 病原体具有相似或更低的 MIC。特别是，3-氮杂环丁烷-3-基-5-(5-硝基-2-呋喃基)-1,2,4-恶二唑(2h)以低于所有比较物的浓度抑制金黄色葡萄球菌。化合物 2e (5-(5-硝基-2-呋喃基)-3-[4-(吡咯烷-3-基氧基)苯基]-1,2,4-恶二唑)对革兰氏阳性 ESKAPE 病原体以及 M . 结核病。分子外围的差异导致化合物的高选择性。诱导拟合对接（IFD）建模技术被应用于计
• Discovery of GlyT1 inhibitors with improved pharmacokinetic properties
  作者：Scott E. Wolkenberg、Zhijian Zhao、David D. Wisnoski、William H. Leister、Julie O’Brien、Wei Lemaire、David L. Williams、Marlene A. Jacobson、Cyrille Sur、Gene G. Kinney、Doug J. Pettibone、Philip R. Tiller、Sheri Smith、Christopher Gibson、Bennett K. Ma、Stacey L. Polsky-Fisher、Craig W. Lindsley、George D. Hartman

  DOI：10.1016/j.bmcl.2009.01.015

  日期：2009.3

  Glycine transporter 1 (GlyT1) represents a novel target for the treatment of schizophrenia via the potentiation of glutamatergic NMDA receptors. The discovery of 4,4-disubstituted piperidine inhibitors of GlyT1 which exhibit improved pharmacokinetic properties, including oral bioavailability, is discussed. (C) 2009 Elsevier Ltd. All rights reserved.