2-(1-二苯甲基氮杂啶-3-基)丙二酸二乙酯 | 181941-94-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(1-二苯甲基氮杂啶-3-基)丙二酸二乙酯
• 英文名称: diethyl 2-[1-(diphenylmethyl)azetidin-3-yl]propane-1,3-dioate
• 英文别名: diethyl 2-(1-benzhydrylazetidin-3-yl)malonate；diethyl (1-benzhydryl-3-azetidinyl)malonate；diethyl 2-(1-benzhydrylazetidin-3-yl)propanedioate
• CAS: 181941-94-6
• 化学式: C₂₃H₂₇NO₄
• 分子量: 381.472
• InChiKey: CEVCRAJVGQECAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(1-二苯甲基氮杂啶-3-基)丙二酸二乙酯 在 palladium hydroxide - carbon 氢氧化钾 、 氢气 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 25.0~170.0 ℃ 、101.33 kPa 条件下， 反应 34.17h， 生成 N-Boc-3-氮杂环丁烷乙酸
  参考文献：
  名称：

  Carruthers, Nicholas I.; Wong, Shing-Chun; Chan, Tze-Ming, Journal of Chemical Research - Part S, 1996, # 9, p. 430 - 431

  摘要：

  DOI：
• 作为产物：
  描述：

  1-二苯甲基-3-甲烷磺酸氮杂环丁烷 在 lithium carbonate 、 sodium hydride 、 lithium bromide 作用下， 以 四氢呋喃 为溶剂， 生成 2-(1-二苯甲基氮杂啶-3-基)丙二酸二乙酯
  参考文献：
  名称：

  Carruthers, Nicholas I.; Wong, Shing-Chun; Chan, Tze-Ming, Journal of Chemical Research - Part S, 1996, # 9, p. 430 - 431

  摘要：

  DOI：

文献信息

• Pyridonecarboxylic acid derivatives substituted by a bicyclic amino
  申请人：Daiichi Pharmaceutical Co., Ltd.

  公开号：US05849757A1

  公开（公告）日：1998-12-15

  This invention relates to a N.sub.1 -(halogenocyclopropyl)-substituted pyridonecarboxylic acid derivative represented by the following formula (I): ##STR1## wherein X.sup.1 is a halogen atom or a hydrogen atom; X.sup.2 is a halogen atom; R.sup.1 is a hydrogen atom, a hydroxyl group, a thiol group, a halogenomethyl group, an amino group, an alkyl group or an alkoxy group which may have a substituent group; R.sup.2 is a group represented by the following formula (II): ##STR2## wherein R.sup.3 and R.sup.4 are independently a hydrogen atom or an alkyl group and n is an integer of 1 or 2; A is a nitrogen atom or a partial structure of the following formula (III): ##STR3## wherein X.sup.3 is a hydrogen atom, a halogen atom, a cyano group, an amino group, an alkyl group, a halogenomethyl group, an alkoxyl group or a halogenomethoxyl group which may have a substituent group; and R is a hydrogen atom, a phenyl group, an acetoxymethyl group, a pivaloyloxymethyl group, an ethoxycarbonyl group, a choline group, a dimethylaminoethyl group, a 5-indanyl group, a phthalidynyl group, a 5-alkyl-2-oxo-1,3-dioxol-4-ylmethyl group, a 3-acetoxy-2-oxobutyl group, an alkyl group, an alkoxymethyl group or a phenylalkyl group, and provides a heterocyclic compound useful as antibacterial drugs.

  这项发明涉及一种由以下式（I）表示的N.sub.1-(卤代环丙基)-取代吡啶酮羧酸衍生物：其中X.sup.1是卤素原子或氢原子；X.sup.2是卤素原子；R.sup.1是氢原子、羟基、硫醇基、卤代甲基基团、氨基、烷基或可能具有取代基团的烷氧基；R.sup.2是由以下式（II）表示的基团：其中R.sup.3和R.sup.4独立地是氢原子或烷基，n是1或2的整数；A是氮原子或以下式（III）的部分结构：其中X.sup.3是氢原子、卤素原子、氰基、氨基、烷基、卤代甲基基团、烷氧基或可能具有取代基团的卤代甲氧基；R是氢原子、苯基、乙酰氧甲基基团、戊酰氧甲基基团、乙氧羰基、胆碱基团、二甲氨基乙基基团、5-茚基团、邻苯二酰基团、5-烷基-2-氧代-1,3-二氧杂环戊-4-基甲基基团、3-乙酰氧基-2-氧代丁基基团、烷基、烷氧甲基或苯基烷基基团，并提供一种用作抗菌药物的杂环化合物。
• 3-((Hetera)cyclobutyl)azetidines, “Stretched” Analogues of Piperidine, Piperazine, and Morpholine: Advanced Building Blocks for Drug Discovery
  作者：Illia O. Feskov、Anton V. Chernykh、Yuliya O. Kuchkovska、Constantin G. Daniliuc、Ivan S. Kondratov、Oleksandr O. Grygorenko

  DOI：10.1021/acs.joc.8b02822

  日期：2019.2.1

  plot analysis of their molecular geometry, demonstrated their larger size and increased conformational flexibility as compared to the parent heterocycles and confirmed their potential utility as building blocks for lead optimization programs.

  设计并合成了4个基于3-（（杂）环丁基）氮杂环丁烷的哌啶，哌嗪和吗啉等位异构体，合成量达到了克级。合成序列的关键步骤包括将N保护的2-（氮杂环丁烷-3-基）丙烷-1,3-二醇或相应的1,3-二溴化物环化。对所得产物进行X射线衍射研究，然后对其分子几何结构进行出口向量图分析，证明了与母体杂环相比，它们的尺寸更大，构象柔韧性更高，并证实了其潜在的实用性，可作为潜在客户优化程序的基础。
• [EN] S1P1 RECEPTOR AGONISTS AND USE THEREOF<br/>[FR] AGONISTES DU RÉCEPTEUR S1P1 ET UTILISATIONS
  申请人：AMGEN INC

  公开号：WO2009154775A1

  公开（公告）日：2009-12-23

  The present invention relates to compounds of Formula (I), that have activity as S1P receptor modulating agents, more specifically to specifically compounds that are S1P1 receptor agonists. The invention also related to the use of such compounds to treat diseases associated with inappropriate S1P1 receptor activity such as autoimmune diseases.

  本发明涉及公式（I）的化合物，该化合物具有作为S1P受体调节剂的活性，更具体地说，是具有S1P1受体激动剂活性的化合物。本发明还涉及使用这种化合物来治疗与不适当的S1P1受体活性相关的疾病，如自身免疫性疾病。
• S1P1 receptor agonists and use thereof
  申请人：Cee Victor J.

  公开号：US20100029611A1

  公开（公告）日：2010-02-04

  The present invention relates to compounds of Formula (I): that are have activity as S1P receptor modulating agents, more specifically to specifically compounds that are S1P1 receptor agonists. The invention also related to the use of such compounds to treat diseases associated with inappropriate S1P1 receptor activity such as autoimmune diseases.

  本发明涉及式（I）的化合物：具有S1P受体调节剂活性，更具体地说是具有S1P1受体激动剂活性的化合物。本发明还涉及使用这些化合物治疗与不适当的S1P1受体活性相关的疾病，如自身免疫性疾病。
• S1P1 RECEPTOR AGONISTS AND USE THEREOF
  申请人：Cee Victor J.

  公开号：US20120129828A1

  公开（公告）日：2012-05-24

  The present invention relates to compounds of Formula (I) that are have activity as S1P1 receptor modulating agents, more specifically to specifically compounds that are S1P1 receptor agonists. The invention also related to the use of such compounds to treat diseases associated with inappropriate S1P1 receptor activity such as autoimmune diseases.

  本发明涉及一些化合物的式（I），这些化合物具有作为S1P1受体调节剂的活性，更具体地说，是S1P1受体激动剂的化合物。本发明还涉及使用这些化合物来治疗与不适当的S1P1受体活性相关的疾病，如自身免疫疾病。