(3-methylpiperidin-4-yl)acetic acid ethyl ester | 173186-92-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (3-methylpiperidin-4-yl)acetic acid ethyl ester
• 英文别名: Ethyl 2-(3-methylpiperidin-4-yl)acetate
• CAS: 173186-92-0
• 化学式: C₁₀H₁₉NO₂
• 分子量: 185.266
• InChiKey: PUEZACXRXDUMTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3-methylpiperidin-4-yl)acetic acid ethyl ester 在 盐酸 、 锂硼氢 、 三乙胺 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 22.0h， 生成 benzyl 4-(2-hydroxyethyl)-3-methylpiperidine-1-carboxylate
  参考文献：
  名称：

  EP3418276

  摘要：

  公开号：
• 作为产物：
  描述：

  3-甲基-4-氧代哌啶-1-羧酸叔丁酯 在 盐酸 、 5%-palladium/activated carbon 、 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 、 乙酸乙酯 、 mineral oil 为溶剂， 反应 60.5h， 生成 (3-methylpiperidin-4-yl)acetic acid ethyl ester
  参考文献：
  名称：

  CARBOXYMETHYL PIPERIDINE DERIVATIVE

  摘要：

  本发明提供了一种新的化合物，具有NK1受体拮抗活性，其CYP3A4抑制活性与阿普利坦相比减少，并且对于预防或治疗化疗引起的恶心和呕吐具有用处。即，本发明涉及以下式（I）所代表的羧甲基哌啶衍生物或其药用可接受的盐。其中，环A是苯环或类似物；环B是吡啶环或类似物；R1是C1-6烷基或C1-6烷氧基；R2和R3是氢原子或甲基；n是从0到5的整数。

  公开号：

  US20160289206A1

文献信息

• CARBOXYMETHYL PIPERIDINE DERIVATIVE
  申请人：KISSEI PHARMACEUTICAL CO., LTD.

  公开号：US20160289206A1

  公开（公告）日：2016-10-06

  The present invention provides a new compound which has NK 1 receptor antagonist activity, whose CYP3A4 inhibitory activity is reduced compared to aprepitant, and which are useful for the prevention or treatment of cancer-chemotherapy-induced nausea and vomiting. That is, the present invention relates to carboxymethyl piperidine derivatives represented by the following formula (I) or a pharmaceutically acceptable salt thereof. Wherein, ring A is a benzene ring or the like; ring B is a pyridine ring or the like; R 1 is C 1-6 alkyl or C 1-6 alkoxy; R 2 and R 3 are a hydrogen atom or methyl; and n is an integral number from 0 to 5.

  本发明提供了一种新的化合物，具有NK1受体拮抗活性，其CYP3A4抑制活性与阿普利坦相比减少，并且对于预防或治疗化疗引起的恶心和呕吐具有用处。即，本发明涉及以下式（I）所代表的羧甲基哌啶衍生物或其药用可接受的盐。其中，环A是苯环或类似物；环B是吡啶环或类似物；R1是C1-6烷基或C1-6烷氧基；R2和R3是氢原子或甲基；n是从0到5的整数。
• AZOLE-SUBSTITUTED PYRIDINE COMPOUND
  申请人：Taisho Pharmaceutical Co., Ltd.

  公开号：EP3418276A1

  公开（公告）日：2018-12-26

  The present invention provides a compound represented by formula [I'| shown below or a pharmaceutically acceptable salt thereof that has an inhibitory effect on 20-HETE producing enzyme, wherein the structure represented by formula [III] shown below represents any of the structures represented by formula group [IV] shown below, wherein R1 represents a hydrogen atom, a fluorine atom, methyl, etc.; R2, R3, and R4 each independently represent a hydrogen atom, a fluorine atom, or methyl; W represents a single bond, C1-3alkanediyl, or the formula -O-CH2CH2-; and ring A represents (a) substituted C4-6cycloalkyl, (b) substituted 4- to 6-membered saturated nitrogen-containing heterocyclyl, (c) substituted phenyl, (d) substituted pyridyl, (e) substituted 2,3-dihydrobenzofuran, (f) 4- to 6-membered saturated oxygen-containing heterocyclyl, etc.

  本发明提供了下图所示式[I'|]代表的化合物或其药学上可接受的盐，该化合物对20-HETE产生酶具有抑制作用，其中下图所示式[III]代表的结构代表下图所示式组[IV]代表的任何一种结构，其中R1代表氢原子、氟原子、甲基等；R2、R3和R4各自独立地代表氢原子、氟原子或甲基；W代表单键、C1-3烷二基或式-O-CH2CH。R2、R3 和 R4 各自独立地代表氢原子、氟原子或甲基； W 代表单键、C1-3 烷二基或式 -O-CH2CH2-；环 A 代表 (a) 取代的 C4-6 环烷基、(b) 取代的 4 至 6 元饱和含氮杂环基、(c) 取代的苯基、(d) 取代的吡啶基、(e) 取代的 2,3-二氢苯并呋喃、(f) 4 至 6 元饱和含氧杂环基等。
• Carboxymethyl piperidine derivative
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：US10100030B2

  公开（公告）日：2018-10-16

  The present invention provides a new compound which has NK1 receptor antagonist activity, whose CYP3A4 inhibitory activity is reduced compared to aprepitant, and which are useful for the prevention or treatment of cancer-chemotherapy-induced nausea and vomiting. That is, the present invention relates to carboxymethyl piperidine derivatives represented by the following formula (I) or a pharmaceutically acceptable salt thereof. Wherein, ring A is a benzene ring or the like; ring B is a pyridine ring or the like; R1 is C1-6 alkyl or C1-6 alkoxy; R2 and R3 are a hydrogen atom or methyl; and n is an integral number from 0 to 5.

  本发明提供了一种新化合物，该化合物具有 NK1 受体拮抗剂活性，其 CYP3A4 抑制活性与阿普瑞坦相比有所降低，可用于预防或治疗癌症化疗引起的恶心和呕吐。也就是说，本发明涉及下式（I）所代表的羧甲基哌啶衍生物或其药学上可接受的盐。其中，环 A 是苯环或类似物；环 B 是吡啶环或类似物；R1 是 C1-6 烷基或 C1-6 烷氧基；R2 和 R3 是氢原子或甲基；n 是 0 至 5 的整数。
• New N-(benzhydryloxyalkyl)-4-(carboxy/carbamoylmethyl) piperidine derivatives with antidepressant activity
  作者：Y El Ahmad、P Maillet、E Laurent、A Talab、JF Teste、MJ Cédat、PY Fiez-Vandal、R Dokhan、R Ollivier

  DOI：10.1016/s0223-5234(97)83972-4

  日期：1997.1

  Several benzhydryloxylalkylpiperidine derivatives were prepared with the aim of obtaining new antidepressant compounds. The influence of the length of the aliphatic chain and of aromatic and piperidine ring substitutions was studied. The pharmacological activity of compounds was investigated in vivo by means of a screening comprising four pharmacological tests: antagonism of reserpine and apomorphine hypothermia; increase of yohimbine induced mortality; and antagonism of immobility in tail suspension test. An in-depth pharmacological study was performed with the more active compounds and a binding study to serotonin (5-HT), norepinephrine (NE) and dopamine (DA) reuptake sites was performed for the preferred compounds. The most active compounds [+], [-]-cis-31, 32 and 46 exhibited an interesting psychopharmacological profile after intraperitoneal administration. This profile was confirmed by the oral route for 31 and 46. In vitro, these compounds showed a non-selective inhibition of DA, NE and 5-HT uptake.
• US5846980A
  申请人：——

  公开号：US5846980A

  公开（公告）日：1998-12-08