3-(pyridin-3-yl)propyl 1-((3-nitrophenyl)sulfonyl)piperidine-2-carboxylate | 1260218-34-5

• 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-(pyridin-3-yl)propyl 1-((3-nitrophenyl)sulfonyl)piperidine-2-carboxylate
• 英文别名: 3-(pyridin-3-yl)propyl 1-(3-nitrophenylsulfonyl)piperidine-2-carboxylate；3-pyridin-3-ylpropyl 1-(3-nitrophenyl)sulfonylpiperidine-2-carboxylate
• CAS: 1260218-34-5
• 化学式: C₂₀H₂₃N₃O₆S
• 分子量: 433.485
• InChiKey: XAAHWACETUTGKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  131
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-(pyridin-3-yl)propyl 1-((3-nitrophenyl)sulfonyl)piperidine-2-carboxylate 在 tin(ll) chloride 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以54%的产率得到3-(pyrydin-3-yl)propyl 1-((3-aminophenyl)sulfonyl)piperidine-2-carboxylate
  参考文献：
  名称：

  Pipecolic Acid Derivatives As Small-Molecule Inhibitors of the Legionella MIP Protein

  摘要：

  The macrophage infectivity potentiator (MIP) protein is a major virulence factor of Legionella pneumophila, the causative agent of Legionnaires' disease MIP belongs to the FK506-binding proteins (FKBP) and is necessary for optimal intracellular survival and lung tissue dissemination of L pneumophila We aimed to identify new small-molecule inhibitors of MIP by starting from known FKBP12 ligands Computational analysis, synthesis, and biological testing of pipecolic acid derivatives revealed a promising scaffold for new MIP inhibitors

  DOI：

  10.1021/jm101156y
• 作为产物：
  描述：

  3-硝基苯磺酰氯 在 4-二甲氨基吡啶 、 三乙胺 、 N,N'-二环己基碳二亚胺 、 lithium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 3-(pyridin-3-yl)propyl 1-((3-nitrophenyl)sulfonyl)piperidine-2-carboxylate
  参考文献：
  名称：

  Pipecolate-sulfonamides for treatment of psychiatric disorders

  摘要：

  本发明涉及具有吡啶甲酸磺酰胺骨架的化合物，这些化合物的药用盐以及含有至少一种这些化合物的药用载体、赋形剂和/或稀释剂的药物组合物。所述的吡啶甲酸磺酰胺化合物可用于预防和/或治疗精神障碍和神经退行性疾病、障碍和症状。

  公开号：

  EP2610245A1

文献信息

• [EN] PIPECOLATE-SULFONAMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS<br/>[FR] PIPÉCOLATE-SULFONAMIDES POUR LE TRAITEMENT DE TROUBLES PSYCHIATRIQUES
  申请人：MAX PLANCK GESELLSCHAFT

  公开号：WO2013097947A1

  公开（公告）日：2013-07-04

  The present invention relates to compounds having a pipecolate sulfonamide scaffold, pharmaceutically acceptable salts of these compounds and pharmaceutical compositions containing at least one of these compounds together with pharmaceutically acceptable carrier, excipient and/or diluents. Said pipecolate sulfonamide compounds can be used for prophylaxis and/or treatment of psychiatric disorders and neurodegenerative diseases, disorders and conditions.

  本发明涉及具有吡哌酸磺胺基骨架的化合物，这些化合物的药用盐以及含有至少一种这些化合物的药用载体、赋形剂和/或稀释剂的药物组合物。所述的吡哌酸磺胺基化合物可用于预防和/或治疗精神障碍和神经退行性疾病、紊乱和状况。
• Pipecolate-sulfonamides for treatment of psychiatric disorders
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP2610245A1

  公开（公告）日：2013-07-03

  The present invention relates to compounds having a pipecolate sulfonamide scaffold, pharmaceutically acceptable salts of these compounds and pharmaceutical compositions containing at least one of these compounds together with pharmaceutically acceptable carrier, excipient and/or diluents. Said pipecolate sulfonamide compounds can be used for prophylaxis and/or treatment of psychiatric disorders and neurodegenerative diseases, disorders and conditions.

  本发明涉及具有吡啶甲酸磺酰胺骨架的化合物，这些化合物的药用盐以及含有至少一种这些化合物的药用载体、赋形剂和/或稀释剂的药物组合物。所述的吡啶甲酸磺酰胺化合物可用于预防和/或治疗精神障碍和神经退行性疾病、障碍和症状。
• PIPECOLATE-SULFONAMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：US20150011541A1

  公开（公告）日：2015-01-08

  The present invention relates to compounds having a pipecolate sulfonamide scaffold, pharmaceutically acceptable salts of these compounds and pharmaceutical compositions containing at least one of these compounds together with pharmaceutically acceptable carrier, excipient and/or diluents. Said pipecolate sulfonamide compounds can be used for prophylaxis and/or treatment of psychiatric disorders and neurodegenerative diseases, disorders and conditions.

  本发明涉及具有pipecolate磺酰胺支架的化合物，这些化合物的药学可接受盐以及含有至少一种这些化合物和药学可接受的载体、赋形剂和/或稀释剂的制药组合物。所述pipecolate磺酰胺化合物可用于预防和/或治疗精神障碍和神经退行性疾病、疾病和病况。
• Pipecolic Acid Derivatives As Small-Molecule Inhibitors of the <i>Legionella</i> MIP Protein
  作者：Christina Juli、Martin Sippel、Jens Jäger、Alexandra Thiele、Matthias Weiwad、Kristian Schweimer、Paul Rösch、Michael Steinert、Christoph A. Sotriffer、Ulrike Holzgrabe

  DOI：10.1021/jm101156y

  日期：2011.1.13

  The macrophage infectivity potentiator (MIP) protein is a major virulence factor of Legionella pneumophila, the causative agent of Legionnaires' disease MIP belongs to the FK506-binding proteins (FKBP) and is necessary for optimal intracellular survival and lung tissue dissemination of L pneumophila We aimed to identify new small-molecule inhibitors of MIP by starting from known FKBP12 ligands Computational analysis, synthesis, and biological testing of pipecolic acid derivatives revealed a promising scaffold for new MIP inhibitors