[1-(4-Ethyl-benzenesulfonyl)-piperidin-4-yl]-methanol | 494221-22-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [1-(4-Ethyl-benzenesulfonyl)-piperidin-4-yl]-methanol
• 英文别名: [1-(4-Ethylphenyl)sulfonylpiperidin-4-yl]methanol
• CAS: 494221-22-6
• 化学式: C₁₄H₂₁NO₃S
• 分子量: 283.392
• InChiKey: XMFNNAPNCGUUGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [1-(4-Ethyl-benzenesulfonyl)-piperidin-4-yl]-methanol 在 resin-bound chromic acid 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 3.0h， 生成 1-(4-Ethyl-benzenesulfonyl)-piperidine-4-carbaldehyde
  参考文献：
  名称：

  A Tandem Three-Phase Reaction for Preparing Secondary Amines with Minimal Side Products

  摘要：

  A new method for the preparation of secondary amines has been reported. Complementary solution-phase and solid-phase synthesis highlight the process. Amines are obtained in good yields free from the usual byproducts of reductive amination. Secondary amines are unreactive, so overalkylation does not occur. The procedure can be used interchangeably for traditional or parallel synthesis settings.

  DOI：

  10.1021/ol0269401
• 作为产物：
  描述：

  4-哌啶甲醇 、 4-乙基苯磺酰氯 在 resin-bound amine 、 resin-bound morpholine 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以93%的产率得到[1-(4-Ethyl-benzenesulfonyl)-piperidin-4-yl]-methanol
  参考文献：
  名称：

  A Tandem Three-Phase Reaction for Preparing Secondary Amines with Minimal Side Products

  摘要：

  A new method for the preparation of secondary amines has been reported. Complementary solution-phase and solid-phase synthesis highlight the process. Amines are obtained in good yields free from the usual byproducts of reductive amination. Secondary amines are unreactive, so overalkylation does not occur. The procedure can be used interchangeably for traditional or parallel synthesis settings.

  DOI：

  10.1021/ol0269401

文献信息

• Modulators of ATP-Binding Cassette Transporters
  申请人：Hadida Ruah Sara S.

  公开号：US20120322798A1

  公开（公告）日：2012-12-20

  Compounds of the present invention, and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTC”). The present invention also relates to methods of treating ABC transporter mediated diseases using compounds of the present invention.

  本发明的化合物及其药学上可接受的组成物，可用作ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节因子（“CFTC”）。本发明还涉及使用本发明的化合物治疗ABC转运蛋白介导的疾病的方法。
• MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS
  申请人：Hadida Ruah Sara S.

  公开号：US20130296364A1

  公开（公告）日：2013-11-07

  Compounds of the present invention, and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTR”). The present invention also relates to methods of treating ABC transporter mediated diseases using compounds of the present invention.

  本发明的化合物及其药学上可接受的组合物可用作ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节因子（“CFTR”）。本发明还涉及使用本发明的化合物治疗ABC转运蛋白介导的疾病的方法。
• MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20140206689A1

  公开（公告）日：2014-07-24

  Compounds of the present invention, and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTR”). The present invention also relates to methods of treating ABC transporter mediated diseases using compounds of the present invention.

  本发明的化合物及其药学上可接受的组成物，可用作ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节因子（“CFTR”）。本发明还涉及使用本发明的化合物治疗ABC转运蛋白介导的疾病的方法。
• US7956052B2
  申请人：——

  公开号：US7956052B2

  公开（公告）日：2011-06-07
• US8318733B2
  申请人：——

  公开号：US8318733B2

  公开（公告）日：2012-11-27