(1-甲基哌啶-4-基)-二苯基甲醇 | 6071-92-7

• 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: (1-甲基哌啶-4-基)-二苯基甲醇
• 英文名称: N-methylazacyclonol
• 英文别名: N-Methyl-4-(diphenyl-hydroxymethyl)-piperidin；1-Methyl-4-diphenylhydroxymethylpiperidin；VUF 4589；(1-methylpiperidin-4-yl)diphenylmethanol；4-[diphenyl(hydroxy)methyl]-1-methylpiperidine；(1-Methyl-[4]piperidyl)-diphenyl-methanol；4-Piperidinemethanol, alpha,alpha-diphenyl-1-methyl-；(1-methylpiperidin-4-yl)-diphenylmethanol
• CAS: 6071-92-7
• 化学式: C₁₉H₂₃NO
• 分子量: 281.398
• InChiKey: ZAKPZGUPZCQKEP-UHFFFAOYSA-N

物化性质

• 熔点：
  133-134 °C
• 沸点：
  421.5±25.0 °C(Predicted)
• 密度：
  1.093±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (1-甲基哌啶-4-基)-二苯基甲醇 以35%的产率得到4-二苯亚甲基-1-甲基哌啶
  参考文献：
  名称：

  赛庚啶衍生物作为组蛋白甲基转移酶Set7 / 9的抑制剂的立体构效关系。

  摘要：

  Set7 / 9是组蛋白赖氨酸甲基转移酶，但也被认为与多种病理生理功能有关。我们之前确定了赛庚啶，它具有Set7 / 9抑制剂，具有弯曲的三环二苯并亚戊烯和椅子状N-甲基哌啶部分，具有蝴蝶状分子构象。在这项工作中，我们合成了几种衍生物以检查空间结构与抑制活性的关系。我们发现，即使由于三环的10，11-烯烃键的减少或置换而导致的分子形状的微小变化，通常也会导致抑制活性的急剧降低。我们的结果不仅对开发更有效和选择性的抑制剂有用，而且对于新型抑制剂支架的构建也应是有用的。

  DOI：

  10.1016/j.bmc.2016.07.024
• 作为产物：
  描述：

  二苯基(4-吡啶基)甲醇 在 sodium tetrahydroborate 、 环己醇 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 6.0h， 生成 (1-甲基哌啶-4-基)-二苯基甲醇
  参考文献：
  名称：

  Synthesis and in vitro antiproliferative activity of diphenyl(sulphonylpiperidin-4-yl)methanol derivatives

  摘要：

  A series of novel diphenyl(piperidin-4-yl)methanol derivatives 10(a-n) were synthesized and characterized by H-1 NMR, LC/MS, FTIR, and elemental analyses. All the synthesized compounds were evaluated for cell proliferation by MTT assay. The antiproliferative effects of the synthesized compounds were tested against viable human skin fibroblast cell line and carcinoma cell lines, namely HeLa cells, HT-29 cells, MCF-7 cells, and HepG-2 cells in comparing the positive and negative control. Among the synthesized compounds, (10b) and (10g) have been identified as potent antiproliferative agents.

  DOI：

  10.1007/s00044-009-9186-8

文献信息

• Treatment of CNS disorders using CNS target modulators
  申请人：Edgar M. Dale

  公开号：US20050080265A1

  公开（公告）日：2005-04-14

  The invention is directed to compositions and methods useful for treating Central Nervous System (CNS) disorders. Furthermore, the invention provides compositions and methods of treating sleep disorders. More specifically, the invention is directed to the compositions and use of derivatized, histamine antagonists for the treatment of sleep disorders.

  这项发明涉及用于治疗中枢神经系统（CNS）疾病的组合物和方法。此外，该发明提供了治疗睡眠障碍的组合物和方法。更具体地说，该发明涉及衍生的组合物和组胺拮抗剂的使用，用于治疗睡眠障碍。
• Unusual reductions induced by formic acid
  作者：David G. Loughhead

  DOI：10.1016/s0040-4039(00)82166-8

  日期：1988.1

  Treatment of xanthene carbinol 1a or xanthenylidene derivative 2a with refluxing formic acid unexpectedly gave dihydro compound 3a. Thioxanthene and acridine carbinols 1b and 1c and acridinylidene derivative 2c were also partially reduced when treated with formic acid.

  用回流的甲酸处理of吨甲醇1a或x烯衍生物2a出乎意料地得到二氢化合物3a。当用甲酸处理时，噻吨蒽和a啶甲醇1b和1c以及a啶二烯衍生物2c也被部分还原。
• Process for the preparation of antihistaminic 4-diphenylmethyl piperidine derivatives
  申请人：Aventis Inc.

  公开号：EP1953142A1

  公开（公告）日：2008-08-06

  The present invention is related to novel intermediates and processes which are useful in the preparation of certain antihistaminic piperidine derivatives of formula (I) wherein W represents -C(=O)- or -CH(OH)-; R1 represents hydrogen or hydroxy; R2 represents hydrogen; R1 and R2 taken together form a second bond between the carbon atoms bearing R1 and R2; n is an integer of from 1 to 5; m is an integer 0 or 1; R3 is -COOH or -COOalkyl wherein the alkyl moiety has from 1 to 6 carbon atoms and is straight or branched; each of A is hydrogen or hydroxy; and pharmaceutically acceptable salts and individual optical isomers thereof, with the proviso that where R1 and R2 are taken together to form a second bond between the carbon atoms bearing R1 and R2 or where R1 represented hydroxy, m is an integer 0.

  本发明涉及一种新的中间体和过程，可用于制备某些抗组胺哌啶衍生物，该衍生物的化学式为(I)，其中W代表-C(=O)-或-CH(OH)-; R1代表氢或羟基; R2代表氢; R1和R2在承载R1和R2的碳原子之间形成第二个键; n是1到5的整数; m是0或1的整数; R3是-COOH或-COOalkyl，其中烷基具有1到6个碳原子，且为直链或支链; A的每个代表氢或羟基; 以及其药学上可接受的盐和单一光学异构体，但其中当R1和R2在承载R1和R2的碳原子之间形成第二个键或R1代表羟基时，m为0。
• Treatment of cns disorders using cns target modulators
  申请人：Edgar Dale

  公开号：US20050009730A1

  公开（公告）日：2005-01-13

  The invention is directed to compositions used for treating Central Nervous System (CNS) disorders. In addition, the invention provides convenient methods of treatment of a CNS disorder. Furthermore, the invention provides methods of treating sleep disorders using compositions that remain active for a discrete period of time to reduce side effects. More specifically, the invention is directed to the compositions and use of derivatized, e.g., ester or carboxylic acid derivatized, antihistamine antagonists for the treatment of sleep disorders.

  本发明涉及用于治疗中枢神经系统（CNS）疾病的组合物。此外，本发明提供了治疗CNS疾病的便捷方法。此外，本发明提供了使用在一定时间内仍然活性以减少副作用的组合物治疗睡眠障碍的方法。更具体地说，本发明涉及使用衍生物（例如，酯或羧酸衍生物）的抗组胺拮抗剂的组合物和用于治疗睡眠障碍的方法。
• CNS target modulators
  申请人：Hypnion, Inc.

  公开号：US20040142972A1

  公开（公告）日：2004-07-22

  The invention is directed to compositions used for treating Central Nervous System (CNS) disorders. In addition, the invention provides convenient methods of treatment of a CNS disorder. Furthermore, the invention provides methods of treating sleep disorders using compositions that remain active for a discrete period of time to reduce side effects. More specifically, the invention is directed to the compositions and use of derivatized, e.g., ester or carboxylic acid derivatized, antihistamine antagonists for the treatment of sleep disorders.

  本发明涉及用于治疗中枢神经系统（CNS）疾病的组合物。此外，本发明提供了治疗CNS疾病的便捷方法。此外，本发明提供了使用在一定时间内仍然保持活性的组合物治疗睡眠障碍的方法，以减少副作用。更具体地说，本发明涉及使用衍生物（例如，酯或羧酸衍生物）的抗组胺拮抗剂的组合物和用于治疗睡眠障碍的用途。