(4-苄基吗啉-2-基)乙酸 | 146944-27-6

• 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: (4-苄基吗啉-2-基)乙酸
• 英文名称: 4-benzylmorpholine-2-acetic acid
• 英文别名: 2-(4-benzylmorpholin-2-yl) acetate；2-(4-benzylmorpholine-2-yl)acetic acid；2-(4-benzylmorpholin-4-ium-2-yl)acetate
• CAS: 146944-27-6
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.283
• InChiKey: ZYXIOXNUKBMPQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  (4-苄基吗啉-2-基)乙酸 在 ammonium hydroxide 、 sodium hypochlorite 、 五氯化磷 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 5.0h， 生成 4-benzyl-2-(((ethoxycarbonyl)amino)methyl)morpholine
  参考文献：
  名称：

  Quinolone antimicrobial agents substituted with morpholines at the 7-position. Syntheses and structure-activity relationships

  摘要：

  A series of novel 7-substituted 1-cyclopropyl-6,8-difluoro- 1,4-dihydro-4-oxo-3-quinolinecarboxylic acids have been prepared and tested for antibacterial activities and for convulsive activities in combination with nonsteroidal antiinflammatory drug. Structure-activity relationships revealed that 7-(2-(aminomethyl)morpholino) derivative 28 had a better Gram-positive activity than the reference quinolones, such as ciprofloxacin, norfloxacin, and ofloxacin. Its Gram-negative activity was equipotent with those of norfloxacin and ofloxacin but was inferior to that of ciprofloxacin. In mouse systemic infection models, 28 showed an excellent therapeutic efficacy which might result from the potent antibacterial activity and suitable physicochemical properties. Convulsive activities of 7-morpholino derivatives in combination with nonsteroidal antiinflammatory drug fenbufen or its metabolite biphenylacetic acid markedly diminished as compared to those of 7-piperazino derivatives in the electrophysiological, biochemical, and behavioral experiments. These results suggest that 28 (Y-26611) is a novel quinolone with reduced neurotoxic excitatory adverse reaction.

  DOI：

  10.1021/jm00062a007
• 作为产物：
  描述：

  (4-苄基-2-吗啉)-乙酸甲酯 在 potassium hydroxide 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 12.0h， 以89%的产率得到(4-苄基吗啉-2-基)乙酸
  参考文献：
  名称：

  [EN] A COMPOUND FOR INHIBITING HUMAN 11-ß-HYDROXY STEROID DEHYDROGENASE TYPE 1, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  [FR] COMPOSÉ CAPABLE D'INHIBER LA 11-BÊTA-HYDROXYSTÉROÏDE DÉSHYDROGÉNASE DE TYPE 1 HUMAINE ET COMPOSITION PHARMACEUTIQUE EN CONTENANT

  摘要：

  公开号：

  WO2012128582A3

文献信息

• BICYCLIC PYRIMIDINE DERIVATIVES
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1552842A1

  公开（公告）日：2005-07-13

  [wherein m and n may be the same or different and each represents an integer of 1 to 3 wherein m + n is 4 or less; R1 represents NR4R5 (wherein R4 and R5 may be the same or different and each represents a hydrogen atom, substituted or unsubstituted lower alkyl, substituted or unsubstituted aralkyl or the like); R2 represents the above Formula (II), Formula (IV) or the like; A represents a single bond, -C(=O)-, -SO2-, -OC(=O)- or the like; and R3 represents substituted or unsubstituted lower alkyl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted aralkyl or the like] Bicyclic pyrimidine derivatives represented by the above Formula (I), or quaternary ammonium salts thereof, or pharmaceutically acceptable salts thereof, or the like, are provided. These have anti-inflammatory activities or modulation activities on the functions of TARC and/or MDC and are useful for treating and/or preventing a disease which is related to T cells, such as an allergic disease, an autoimmune disease or transplant rejection.

  提供上述公式（I）所代表的双环嘧啶衍生物，或其季铵盐，或其药用盐等。这些化合物具有抗炎活性或对TARC和/或MDC功能的调节活性，并且可用于治疗和/或预防与T细胞相关的疾病，如过敏性疾病、自身免疫疾病或移植排斥等。
• Bicyclic pyrimidine derivatives
  申请人：Arai Hitoshi

  公开号：US20070037834A1

  公开（公告）日：2007-02-15

  [wherein m and n may be the same or different and each represents an integer of 1 to 3 wherein m+n is 4 or less; R 1 represents —NR 4 R 5 (wherein R 4 and R 5 may be the same or different and each represents a hydrogen atom, substituted or unsubstituted lower alkyl, substituted or unsubstituted aralkyl or the like); R 2 represents the above Formula (II), Formula (IV) or the like; A represents a single bond, —C(═O)—, —SO 2 —, —OC(═O)— or the like; and R 3 represents substituted or unsubstituted lower alkyl, substituted or unsubstituted cycloalkyl, substituted or unsubstituted aralkyl or the like] Bicyclic pyrimidine derivatives represented by the above Formula (I), or quaternary ammonium salts thereof, or pharmaceutically acceptable salts thereof, or the like, are provided. These have anti-inflammatory activities or modulation activities on the functions of TARC and/or MDC and are useful for treating and/or preventing a disease which is related to T cells, such as an allergic disease, an autoimmune disease or transplant rejection.

  提供上述公式（I）所代表的双环嘧啶衍生物，其中m和n可以相同或不同，每个表示1至3的整数，其中m+n小于等于4；R1表示—NR4R5（其中R4和R5可以相同或不同，每个表示氢原子，取代或未取代的低碳基，取代或未取代的芳基烷基或类似物）；R2表示上述公式（II），公式（IV）或类似物；A表示单键，—C（═O）—，—SO2—，—OC（═O）—或类似物；R3表示取代或未取代的低碳基，取代或未取代的环烷基，取代或未取代的芳基烷基或类似物。还提供了上述公式（I）所代表的四元铵盐或药学上可接受的盐或类似物。这些化合物具有抗炎活性或对TARC和/或MDC功能的调节活性，并且用于治疗和/或预防与T细胞相关的疾病，例如过敏性疾病，自身免疫性疾病或移植排斥。
• Benzo[b]furans as bromodomain inhibitors
  申请人：GlaxoSmithKline Intellectual Property (No. 2) Limited

  公开号：US10583112B2

  公开（公告）日：2020-03-10

  The present invention relates to compounds of formula (I) and salts thereof, pharmaceutical compositions containing such compounds and to their use in therapy.

  本发明涉及式（I）化合物及其盐类、含有此类化合物的药物组合物以及它们在治疗中的用途。
• Pyridyl derivatives as bromodomain inhibitors
  申请人：GlaxoSmithKline Intellectual Property (No. 2) Limited

  公开号：US10934272B2

  公开（公告）日：2021-03-02

  The present invention relates to compounds of formula (I) and salts thereof, pharmaceutical compositions containing such compounds and to their use in therapy.

  本发明涉及式（I）化合物及其盐类、含有此类化合物的药物组合物以及它们在治疗中的用途。
• PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS
  申请人：GlaxoSmithKline Intellectual Property (No. 2) Limited

  公开号：EP3440069B1

  公开（公告）日：2020-10-28