ethyl 1-(ethoxycarbonyl)piperidine-4-carboxylate | 40339-67-1

• 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: ethyl 1-(ethoxycarbonyl)piperidine-4-carboxylate
• 英文别名: piperidine-1,4-dicarboxylic acid diethyl ester；ethyl 1-ethoxycarbonylisonipecotate；4,N-Diethoxycarbonyl-piperidin；diethyl piperidine-1,4-dicarboxylate
• CAS: 40339-67-1
• 化学式: C₁₁H₁₉NO₄
• mdl: MFCD09029611
• 分子量: 229.276
• InChiKey: HTGQADRJVAFFPH-UHFFFAOYSA-N

物化性质

• 沸点：
  303.4±35.0 °C(Predicted)
• 密度：
  1.114±0.06 g/cm3(Predicted)
• 保留指数：
  1670

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.818
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 1-(ethoxycarbonyl)piperidine-4-carboxylate 在 正丁基锂 、 溶剂黄146 、 二异丙胺 、 N,N'-羰基二咪唑 、 sodium hydroxide 作用下， 以 四氢呋喃 、 正己烷 、 水 为溶剂， 反应 5.0h， 生成
  参考文献：
  名称：

  Pyrazolopyrimidines as Potent Stimulators for Transient Receptor Potential Canonical 3/6/7 Channels

  摘要：

  Transient receptor potential canonical 3/6/7 (TRPC3/6/7) are highly homologous receptor-operated nonselective cation channels. Despite their physiological significance, very few selective and potent agonists are available for functional examination of these channels. Using a cell-based high throughput screening approach, a lead compound with the pyrazolopyrimidine skeleton was identified as a TRPC6 agonist. Synthetic schemes for the lead and its analogues were established, and structural activity relationship studies were carried out. A series of potent and direct agonists of TRPC3/6/7 channels were identified, and among them, 4m-4p have a potency order of TRPC3 > C7 > C6, with 4n being the most potent with an EC50 of <20 nM on TRPC3. Importantly, these compounds exhibited no stimulatory activity on related TRP channels. The potent and selective compounds described here should be suitable for evaluation of the roles of TRPC channels in the physiology and pathogenesis of diseases, including glomerulosderosis and cancer.

  DOI：

  10.1021/acs.jmedchem.7b00304
• 作为产物：
  描述：

  4-哌啶甲酸 在 sodium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 2.75h， 生成 ethyl 1-(ethoxycarbonyl)piperidine-4-carboxylate
  参考文献：
  名称：

  吡唑并嘧啶类化合物及其药物组合物和其在制 药中的应用

  摘要：

  提供结构式（I）所示的吡唑并嘧啶类化合物，其为活性成分的药物组合物，它们的制备方法，以及在制备TRPC6调节剂探针药物及在制备防治肾小球疾病及心肌肥大症相关药物中的应用。本发明中的吡唑并嘧啶及其衍生物可制备成各种形式的药物制剂，包括口服、注射、肺吸入制剂、透皮制剂，具体包括注射剂、口服液、片剂、胶囊剂、颗粒剂、气雾剂、粉雾剂、喷雾剂、贴剂等。

  公开号：

  CN103694242B

文献信息

• Isoquinoline compounds and medicinal use thereof
  申请人：Fujio Masakazu

  公开号：US20060094743A1

  公开（公告）日：2006-05-04

  The present invention relates to an isoquinoline compound represented by the following formula (I) or (II), an optically active form thereof, a pharmaceutically acceptable salt thereof, a water adduct thereof, a hydrate thereof and a solvate thereof, as well as an agent for the prophylaxis and/or treatment of a disease caused by hyperreactivity of poly(ADP-ribose)polymerase, containing the compound, and a poly(ADP-ribose)polymerase inhibitor containing the compound. In addition, this compound is useful as an agent for the prophylaxis and/or treatment of cerebral infarction, particularly as an agent for the prophylaxis and/or treatment of acute cerebral infarction.

  本发明涉及一种由以下式(I)或(II)表示的异喹啉化合物，其光学活性形式，其药学上可接受的盐，其水加合物，其水合物和其溶剂化物，以及一种含有该化合物的用于预防和/或治疗由多聚(ADP-核糖)聚合酶过度反应引起的疾病的药剂，以及一种含有该化合物的多聚(ADP-核糖)聚合酶抑制剂。此外，该化合物对于预防和/或治疗脑梗死非常有用，特别是对于预防和/或治疗急性脑梗死。
• 1,2,3,6-Tetrahydroisonicotinic acid and derivatives thereof, methods and starting products for their preparation, and pharmaceutical compositions containing them.
  申请人：Krogsgaard-Larsen, Povl

  公开号：EP0000167A1

  公开（公告）日：1979-01-10

  1,2,3,6-Tetrahydroisonicotinic acid and derivatives thereof, methods and starting products for their preparation, and pharmaceutical compositions containing them. Compounds of formuta is which R" is hydrogen, acetyl or a group wherein R1 is C1-8 alkyl; phenyl; substituted phenyl, phenylalkyl in which the phenyl group may be substituted. R' is hydrogen; C1-8 alkyl; phenyl; substituted phenyl, phenylalkyl, substituted phenylalkyl or idanyl; or R' is a group wherein R2 and R3 are hydrogen; C1-6 alkyl; or phenylalkyl and R4 designates C1-8 alkyl; phenyl; substituted phenyl or phenylalkyl and salts thereof. Intermediates for preparing (1) are in which Z is hydrogen or a protecting group and W is hydrogen or a readily removable group and saits thereof which are subjected to dehydration and in which Z' and W' have the same meaning as and W and salts thereof, which are reacted with appropriate reagents. The compounds (I) exhibit γ-aminobutyric acid related activity and are useful as active ingredients in pharmaceutical compositions. They may additionally contain a minor tranquilizer or a neuroleptic.

  1,2,3,6-四氢异烟酸及其衍生物、制备它们的方法和起始产品，以及含有它们的药物组合物。化合物 其中 R "是氢、乙酰基或一个基团 其中 R1 是 C1-8 烷基；苯基；取代苯基；苯基烷基，其中苯基可被取代。R'是氢；C1-8 烷基；苯基；取代的苯基、苯基烷基、取代的苯基烷基或偶氮苯基；或 R'是一个基团，其中 R2 和 R3 是氢；C1-6 烷基；或苯基烷基，R4 表示 C1-8 烷基；苯基；取代的苯基或苯基烷基及其盐。制备（1）的中间体有 其中 Z 为氢或保护基，W 为氢或易脱去的基团及其经脱水处理的盐，以及 其中 Z'和 W'的含义与 W 及其盐类相同，它们与适当的试剂反应。 化合物（I）具有与γ-氨基丁酸相关的活性，可用作药物组合物中的活性成分。此外，它们还可能含有轻微的镇静剂或神经安定剂。
• ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1566380B1

  公开（公告）日：2012-01-11
• Wu; Griffith; Loch III, Journal of Medicinal Chemistry, 1995, vol. 38, # 9, p. 1558 - 1570
  作者：Wu、Griffith、Loch III、Kover、Murray、Mullen、Blosser、Machulskis、McCreedy

  DOI：——

  日期：——
• US7501412B2
  申请人：——

  公开号：US7501412B2

  公开（公告）日：2009-03-10