1-苄基哌啶-3,3-二醇氢溴酸 | 61995-16-2

• 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-苄基哌啶-3,3-二醇氢溴酸
• 英文名称: 1-Benzyl-3,3-dihydroxypiperidine hydrobromide
• 英文别名: 1-Benzylpiperidine-3,3-diol hydrobromide；1-benzylpiperidine-3,3-diol;hydrobromide
• CAS: 61995-16-2
• 化学式: BrH*C₁₂H₁₇NO₂
• 分子量: 288.184
• InChiKey: HXOIITJZXKWPKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.54
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.7
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  1-苄基哌啶-3,3-二醇氢溴酸 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 2.0h， 生成 N-叔丁氧羰基-3-哌啶酮
  参考文献：
  名称：

  Glycine antagonists. Synthesis, structure, and biological effects of some bicyclic 5-isoxazolol zwitterions

  摘要：

  The bicyclic 5-isoxazolol zwitterions 4,5,6,7-tetrahydroisoxazolo[4,3-c] pyridin-3-ol (3, iso-THPO), 5,6,7,8-tetrahydro-4H-isoxazolo [4,3-c]azepin-3-ol (12, iso-THAO), and 5,6,7,8-tetrahydro-4H-isoxazolo [3,4-c]azepin-3-ol (13, iso-THIA), which are structurally related to the glycine antagonist 5,6,7,8-tetrahydro-4H-isoxazolo[3,4-d]azepin-3-ol (iso-THAZ), have been synthesized and tested biologically. All of these compounds were glycine antagonists approximately equipotent with iso-THAZ during microelectrophoretic ejection near cat spinal neurons. In contrast to iso-THAZ, which also interacts with 4-aminobutyric acid (GABA) receptors in rat brains, neither 12 nor 13 show any significant affinities for GABA binding or uptake mechanisms in vitro. The glycine antagonist 3 was, however, shown also to be a moderately potent inhibitor of GABA uptake. The structure of 12 was established by an X-ray analysis. The bond lengths of the 5-isoxazolol anionic moiety of 12 are in agreement with a pronounced delocalization of the negative charge of this compound.

  DOI：

  10.1021/jm00152a010
• 作为产物：
  描述：

  3-benzyloxy-N-benzyl-1,2,5,6-tetrahydropyridine 在 水 、 氢溴酸 作用下， 反应 3.0h， 以43%的产率得到1-苄基哌啶-3,3-二醇氢溴酸
  参考文献：
  名称：

  Method of Using Substituted Piperidines that Increase P53 Activity

  摘要：

  本发明揭示了使用具有HDM2蛋白拮抗活性的化合物来治疗或预防癌症、其他由异常细胞增殖引起的疾病、与HDM2相关的疾病或由不足的P53活性引起的疾病的方法。

  公开号：

  US20080004286A1

文献信息

• METHOD OF USING SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY
  申请人：Schering Corporation

  公开号：EP2037919A2

  公开（公告）日：2009-03-25
• [EN] METHOD OF USING SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY<br/>[FR] PROCÉDÉ D'UTILISATION DE PIPÉRIDINES SUBSTITUÉES QUI AUGMENTENT L'ACTIVITÉ DE P53
  申请人：SCHERING CORP

  公开号：WO2008005266A2

  公开（公告）日：2008-01-10

  [EN] The present invention discloses a method of using compounds, which have HDM2 protein antagonist activity, to treat or prevent cancer, other diseases caused by abnormal cell proliferation, diseases associated with HDM2, or diseases caused by inadequate P53 activity.
  [FR] La présente invention concerne un procédé d'utilisation de composés dotés d'une activité antagoniste vis-à-vis de la protéine HDM2 en vue de traiter ou de prévenir un cancer, d'autres maladies causées par une prolifération cellulaire anormale, des maladies associées à HDM2, ou des maladies induites par une activité de P53 inadéquate.
• Glycine antagonists. Synthesis, structure, and biological effects of some bicyclic 5-isoxazolol zwitterions
  作者：Lotte Brehm、Povl Krogsgaard-Larsen、Kjeld Schaumburg、Joergen S. Johansen、Erik Falch、David R. Curtis

  DOI：10.1021/jm00152a010

  日期：1986.2

  The bicyclic 5-isoxazolol zwitterions 4,5,6,7-tetrahydroisoxazolo[4,3-c] pyridin-3-ol (3, iso-THPO), 5,6,7,8-tetrahydro-4H-isoxazolo [4,3-c]azepin-3-ol (12, iso-THAO), and 5,6,7,8-tetrahydro-4H-isoxazolo [3,4-c]azepin-3-ol (13, iso-THIA), which are structurally related to the glycine antagonist 5,6,7,8-tetrahydro-4H-isoxazolo[3,4-d]azepin-3-ol (iso-THAZ), have been synthesized and tested biologically. All of these compounds were glycine antagonists approximately equipotent with iso-THAZ during microelectrophoretic ejection near cat spinal neurons. In contrast to iso-THAZ, which also interacts with 4-aminobutyric acid (GABA) receptors in rat brains, neither 12 nor 13 show any significant affinities for GABA binding or uptake mechanisms in vitro. The glycine antagonist 3 was, however, shown also to be a moderately potent inhibitor of GABA uptake. The structure of 12 was established by an X-ray analysis. The bond lengths of the 5-isoxazolol anionic moiety of 12 are in agreement with a pronounced delocalization of the negative charge of this compound.
• Method of Using Substituted Piperidines that Increase P53 Activity
  申请人：Wang Yaolin

  公开号：US20080004286A1

  公开（公告）日：2008-01-03

  The present invention discloses a method of using compounds, which have HDM2 protein antagonist activity, to treat or prevent cancer, other diseases caused by abnormal cell proliferation, diseases associated with HDM2, or diseases caused by inadequate P53 activity.

  本发明揭示了使用具有HDM2蛋白拮抗活性的化合物来治疗或预防癌症、其他由异常细胞增殖引起的疾病、与HDM2相关的疾病或由不足的P53活性引起的疾病的方法。