[1,4]Bi哌啶基-4-羧酸乙酯 | 344779-08-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: [1,4]Bi哌啶基-4-羧酸乙酯
• 中文别名: N-(4-哌啶基)-4-哌啶甲酸乙酯
• 英文名称: ethyl (1,4'-bipiperidine)-4-carboxylate
• 英文别名: ethyl [1,4'-bipiperidine]-4-carboxylate；[1,4']Bipiperidinyl-4-carboxylic acid ethyl ester；ethyl 1-piperidin-4-ylpiperidine-4-carboxylate
• CAS: 344779-08-4
• 化学式: C₁₃H₂₄N₂O₂
• 分子量: 240.346
• InChiKey: MAEZHBHHHAZLBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  [1,4]Bi哌啶基-4-羧酸乙酯 在 5%-palladium/activated carbon 、 氢气 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 20.0 ℃ 、275.8 kPa 条件下， 反应 32.25h， 生成 N-(20-amino-3,6,9,12,15,18-hexaoxaicosyl)-1′-((5-hydroxy-2-phenylbenzofuran-4-yl)methyl)-(1,4′-bipiperidine)-4-carboxamide
  参考文献：
  名称：

  Benzofuran derivatives as a novel class of inhibitors of mTOR signaling

  摘要：

  High-throughput screening (HTS) hit 1 was previously identified as an inhibitor of the Akt/mTOR (Akt/mammalian target of rapamycin) signaling, which is a major target in oncology. The cytotoxicity of 1 was determined on a panel of human cancer cells lines with an IC50 comprised between 30 and 140 mu M. Subsequent structure activity relationship (SAR) studies led us to the identification of compounds that displayed an enhanced cytotoxicity. We demonstrated also that these molecules directly bind to mTOR complex 1 (mTORC1) and inhibit its kinase activity. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.12.020
• 作为产物：
  描述：

  哌啶-4-甲酸乙酯 在 盐酸 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 二氯甲烷 、 水 、 乙酸乙酯 为溶剂， 反应 9.5h， 生成 [1,4]Bi哌啶基-4-羧酸乙酯
  参考文献：
  名称：

  WO2019212990A5

  摘要：

  公开号：

  WO2019212990A5

文献信息

• LTA4H modulators and uses thereof
  申请人：Barchuk William T.

  公开号：US20080194630A1

  公开（公告）日：2008-08-14

  Leukotriene A4 hydrolase (LTA4H) inhibitors, compositions containing them, and methods of use for the inhibition of LTA4H enzyme activity and the treatment, prevention or inhibition of inflammation and/or conditions associated with inflammation.

  白三烯A4水解酶（LTA4H）抑制剂，含有它们的组合物，以及用于抑制LTA4H酶活性和治疗、预防或抑制炎症和/或与炎症相关疾病的方法。
• [EN] BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS<br/>[FR] DERIVES DE BENZIMIDAZOLE, DE BENZTHIAZOLE ET DE BENZOXAZOLE ET UTILISATION DE CEUX-CI COMME MODULATEURS LTA4H
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005012296A1

  公开（公告）日：2005-02-10

  Leukotriene A4 hydrolase (LTA4H) inhibitors of formula I, compositions containing them, and their use for the inhibition of LTA4H enzyme activity and the treatment, prevention or inhibition of inflammation and/or conditions associated with inflammation, wherein X is selected from the group consisting of NR5, O, and S, with R5 being one of the H and CH3; Y is selected from the group consisting of CH2 and O; R4 is selected from the group consisting of H, OCH3, Cl, F, Br, I, OH, NH2, CN, CF3.

  白三烯A4水解酶（LTA4H）的抑制剂I式，含有它们的组合物，以及它们用于抑制LTA4H酶活性和治疗、预防或抑制炎症和/或与炎症相关疾病的用途，其中X从NR5、O和S组成的组中选择，其中R5是H和CH3中的一个；Y从CH2和O组成的组中选择；R4从H、O 、Cl、F、Br、I、OH、NH2、CN、CF3组成的组中选择。
• Triazolo-pyrimidine derivatives as ligands for gaba receptors
  申请人：——

  公开号：US20030045532A1

  公开（公告）日：2003-03-06

  A class of substituted or 6,7-ring fused [1, 2, 3]triazolo[1,5-&agr;]-pyrimidine derivatives, possessing an optionally substituted cycloalkyl, phenyl or heteroaryl substituent at the 3-position and an amino moiety at the 5-position, are selective ligands for GABA A receptors, in particular having high affinity for the &agr;2 and/or ◯subunit thereof, and are accordingly of benefit in the treatment and/or prevention of disorders of the central nervous system, including anxiety and convulsions.

  一类取代或6,7-环融合的[1, 2, 3]三唑[1,5-α]-嘧啶衍生物，其在3-位置具有可选的取代环烷基、苯基或杂环烷基取代基，以及在5-位置具有氨基团，是GABAA受体的选择性配体，特别是对其α2和/或χ亚基具有高亲和力，因此对于治疗和/或预防中枢神经系统疾病，包括焦虑和抽搐，具有益处。
• GUANIDINE COMPOUND
  申请人：Astellas Pharma Inc.

  公开号：US20130143860A1

  公开（公告）日：2013-06-06

  [Problem] The present invention provides a compound which is useful as an active ingredient of a pharmaceutical composition, in particular, a pharmaceutical composition for preventing and/or treating VAP-1-related diseases. [Means for Solution] The present inventors have conducted intensive studies on a compound having a VAP-1 inhibitory activity, and as a result, they have found that the compound or a salt thereof of the present invention exhibits an excellent VAP-1 inhibitory activity and is useful for preventing and/or treating VAP-1-related diseases, in particular, diabetic nephropathy or diabetic macular edema, thereby completing the present invention. In addition, the present invention relates to a pharmaceutical composition, in particular, a pharmaceutical composition for preventing and/or treating VAP-1-related diseases, which comprises the compound or a salt thereof of the present invention, and an excipient.

  [问题]本发明提供一种化合物，用作药物组合物的活性成分，特别是用于预防和/或治疗与VAP-1相关的疾病的药物组合物。 [解决方法]本发明人对具有VAP-1抑制活性的化合物进行了深入研究，结果发现本发明的化合物或其盐表现出优异的VAP-1抑制活性，可用于预防和/或治疗与VAP-1相关的疾病，特别是糖尿病肾病或糖尿病黄斑水肿，从而完成了本发明。此外，本发明涉及一种药物组合物，特别是用于预防和/或治疗与VAP-1相关的疾病的药物组合物，其包括本发明的化合物或其盐和赋形剂。
• [EN] BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS<br/>[FR] DERIVES DE BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE ET LEUR UTILISATION EN TANT QUE MODULATEURS DE LTA4H
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005012297A1

  公开（公告）日：2005-02-10

  Leukotriene A4 hydrolase (LTA4H) inhibitors of Formula (I), compositions containing them, and their use for the inhibition of LTA4H enzyme activity and the treatment, prevention or inhibition of inflammation and/or conditions associated with inflammation. Wherein X is selected from the group consisting of NR5, O, and S, with R5 being on of H and CH3; Y is selected from the group consisting; W is selected from the group consisting Of CH2 and CHR1-CH2, with R1 being one H and OH, wherein R1-attached carbon member in said CHR1-CH2 is not directly attached; R4 is selected from the group consisting of H, OCH3, CI, F Br, OH, NH2, CN, CF3 and CH3; R6 is H or F; and R2 and R3 are each independently selected from various groups.

  Leukotriene A4水解酶（LTA4H）的Formula（I）抑制剂，含有它们的组合物以及它们用于抑制LTA4H酶活性和治疗、预防或抑制炎症和/或与炎症相关疾病的用途。其中X选择自NR5，O和S组，其中R5是H和CH3之一; Y选择自组中，W选择自CH2和CHR1- 组，其中R1是H和OH之一，其中所述CHR1- 中的R1-连接碳成员不直接连接; R4选择自H，O ，CI，F Br，OH，NH2，CN，CF3和 组; R6是H或F; R2和R3各自独立地选择自各种组。