4-(4-chloro-phenyl)-1-methyl-piperidin-4-ol | 6653-07-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-(4-chloro-phenyl)-1-methyl-piperidin-4-ol
• 英文别名: 4-(4-chlorophenyl)-1-methyl-4-piperidinol；4-(4-Chlorophenyl)-1-methylpiperidin-4-OL
• CAS: 6653-07-2
• 化学式: C₁₂H₁₆ClNO
• 分子量: 225.718
• InChiKey: WUFINGBTODUAJH-UHFFFAOYSA-N

物化性质

• 沸点：
  352.6±42.0 °C(Predicted)
• 密度：
  1.193±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  4-(4-chloro-phenyl)-1-methyl-piperidin-4-ol 在 盐酸 、 溶剂黄146 作用下， 生成 1-甲基-4-(4-氯苯基)-1,2,3,6-四氢吡啶
  参考文献：
  名称：

  Assessment of Structural Requirements for the Monoamine Oxidase-B-Catalyzed Oxidation of 1,4-Disubstituted-1,2,3,6-tetrahydropyridine Derivatives Related to the Neurotoxin 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine

  摘要：

  The monoamine oxidase B (MAO-B) substrate properties and distance measurements along the N-1-C-4 axis of 38 1,4-disubstituted-1,2,3,6-tetrahydropyridine derivatives, including seven newly synthesized MPTP analogs, were used to define the maximum size that can be accommodated by the MAO-B active site. Only those compounds measuring less than 12 Angstrom displayed significant MAO-B substrate properties. The behavior of various 4-substituted-1-cyclopropyltetrahydropyl tetrahydropyridine analogs also is discussed in terms of this N-1-C-4 distance parameter in an effort to understand factors which contribute to their substrate vs inactivator properties. We conclude that this distance parameter will predict the majority of substrates vs nonsubstrates with this class of compound.

  DOI：

  10.1021/jm9603882
• 作为产物：
  描述：

  N-甲基-4-哌啶酮 、 4-chlorophenyl lithium 以 四氢呋喃 为溶剂， 生成 4-(4-chloro-phenyl)-1-methyl-piperidin-4-ol
  参考文献：
  名称：

  Assessment of Structural Requirements for the Monoamine Oxidase-B-Catalyzed Oxidation of 1,4-Disubstituted-1,2,3,6-tetrahydropyridine Derivatives Related to the Neurotoxin 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine

  摘要：

  The monoamine oxidase B (MAO-B) substrate properties and distance measurements along the N-1-C-4 axis of 38 1,4-disubstituted-1,2,3,6-tetrahydropyridine derivatives, including seven newly synthesized MPTP analogs, were used to define the maximum size that can be accommodated by the MAO-B active site. Only those compounds measuring less than 12 Angstrom displayed significant MAO-B substrate properties. The behavior of various 4-substituted-1-cyclopropyltetrahydropyl tetrahydropyridine analogs also is discussed in terms of this N-1-C-4 distance parameter in an effort to understand factors which contribute to their substrate vs inactivator properties. We conclude that this distance parameter will predict the majority of substrates vs nonsubstrates with this class of compound.

  DOI：

  10.1021/jm9603882

文献信息

• Dioxanes and uses thereof
  申请人：——

  公开号：US20040072849A1

  公开（公告）日：2004-04-15

  In recognition of the need to develop novel therapeutic agents and efficient methods for the synthesis thereof, the present invention provides novel compounds of general formula (I): 1 and pharmaceutically acceptable derivatives thereof, wherein R 1 , R 2 , R 3 , n, X and Y are as defined herein. The present invention also provides pharmaceutical compositions comprising a compound of formula (I) and a pharmaceutically acceptable carrier. The present invention further provides compounds capable of inhibiting histone deacetylatase activity and methods for treating disorders regulated by histone deacetylase activity (e.g., cancer and protozoal infections) comprising administering a therapeutically effective amount of a compound of formula (I) to a subject in need thereof. The present invention additionally provides methods for modulating the glucose-sensitive subset of genes downstream of Ure2p. The present invention also provides methods for preparing compounds of the invention.

  鉴于需要开发新型治疗剂和有效的合成方法，本发明提供了一般式(I)的新化合物： 1 及其药学上可接受的衍生物，其中R 1 ，R 2 ，R 3 ，n，X和Y如本文所定义。本发明还提供了包含一种式(I)化合物和药学上可接受的载体的药物组合物。本发明还提供了能够抑制组蛋白去乙酰化酶活性的化合物以及治疗由组蛋白去乙酰化酶活性调节的疾病的方法（例如，癌症和原虫感染），包括向需要的受体施用一种式(I)化合物的治疗有效量。本发明还提供了调节Ure2p下游葡萄糖敏感基因子集的方法。本发明还提供了制备本发明化合物的方法。
• Antifouling Compounds And Use Thereof
  申请人：Teo Lay Ming Serena

  公开号：US20110092518A1

  公开（公告）日：2011-04-21

  The present invention relates to the use of compounds which have the following general formula (I), wherein R 1 and R 2 are independently selected from optionally substituted aryl, optionally substituted C 1 to C 12 alkyl and H; and R 3 and R 4 are independently selected from hydroxy, optionally substituted C 1 to C 6 alkyl, optionally substituted phenyl and H, in a method of preventing or reducing fouling, particularly in the marine environment. The compounds of the present invention have the considerable advantage of providing the antifouling coating market with an organic alternative to the existing technology which relies heavily on the addition of copper to obtain significant antifouling effects. The compounds we have developed may be used as cheap, easy to prepare additives that do not contain metals and therefore have reduced toxicity in marine environment.

  本发明涉及使用具有以下一般式(I)的化合物，其中R1和R2分别选自可选取代芳基、可选取代的C1到C12烷基和H；R3和R4分别选自羟基、可选取代的C1到C6烷基、可选取代的苯基和H，在防止或减少污垢，特别是在海洋环境中的方法中。本发明的化合物具有显著优势，为防污涂层市场提供了一种有机替代现有技术的选择，现有技术主要依赖于添加铜来获得显著的防污效果。我们开发的化合物可作为廉价、易于制备的添加剂使用，不含金属，因此在海洋环境中具有较低的毒性。
• 4-Aryl-4-aryloxypiperidines
  申请人：John Wyeth and Brother Limited

  公开号：US04325953A1

  公开（公告）日：1982-04-20

  4-Aryl-4-aryloxypiperidines of the general formula (I) ##STR1## and their pharmaceutically acceptable acid addition salts, wherein R.sup.1 and R.sup.2 are hydrogen or lower alkyl, R.sup.3 is hydrogen, lower alkyl or benzyl, Ar is phenyl optionally substituted by one or more halogen, trifluoromethyl, lower alkyl, lower alkoxy, nitro or amino groups and Ar.sup.1 is a phenyl radical optionally substituted by one or more cyano, methylsulphinyl, methylsulphonyl, lower alkoxy, trifluoromethyl, lower alkyl, lower alkenyl, halogen, nitro, amino or acylamino groups or an aromatic heterocyclic mono- or di-cyclic radical, exhibit activity on the central nervous system, e.g. as antidepressants.

  通用式(I)的4-芳基-4-芳氧基哌啶及其药学上可接受的酸盐，其中R.sup.1和R.sup.2是氢或较低的烷基，R.sup.3是氢、较低的烷基或苄基，Ar是苯基，可选择地被一个或多个卤素、三氟甲基、较低的烷基、较低的烷氧基、硝基或氨基取代，Ar.sup.1是一个苯基基团，可选择地被一个或多个氰基、甲磺基、磺酰基甲基、较低的烷氧基、三氟甲基、较低的烷基、较低的烯基、卤素、硝基、氨基或酰胺基团或芳香族杂环单环或双环基团取代，表现出对中枢神经系统的活性，例如作为抗抑郁药。
• DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS
  申请人：Matsuyama Hironori

  公开号：US20100004438A1

  公开（公告）日：2010-01-07

  An object of the present invention is to provide a medicinal drug much improved in anti tumor activity and excellent in safety. According to the present invention, there is provided a medicinal drug containing a compound represented by the following general formula (1) or a salt thereof as an active ingredient: [Formula 1] wherein X 1 represents a nitrogen atom or a group —CH═, R 1 represents a group -Z-R 6 , in which Z represents a group —CO—, a group —CH(OH)— or the like, R 6 represents a 5- to 15-membered monocyclic, dicyclic or tricyclic saturated or unsaturated heterocyclic group having 1 to 4 nitrogen atoms, oxygen atoms or sulfur atoms, R 2 represents a hydrogen atom or a halogen atom, Y represents a group —O—, a group —CO—, a group —CH(OH)— or a lower alkylene group, and A represents [Formula 2] wherein R 3 represents a hydrogen atom, a lower alkoxy group or the like, p represents 1 or 2, R 4 represents an imidazolyl lower alkyl group or the like.

  本发明的一个目的是提供一种在抗肿瘤活性方面大大改进且安全性优异的药物。根据本发明，提供了一种包含以下一般式（1）所表示的化合物或其盐作为活性成分的药物：[式1]其中X1代表氮原子或基团—CH═，R1代表一个基团-Z-R6，其中Z代表基团—CO—，基团—CH(OH)—或类似的基团，R6代表一个含有1至4个氮原子、氧原子或硫原子的5至15个成员的单环、双环或三环饱和或不饱和杂环基团，R2代表氢原子或卤原子，Y代表基团—O—，基团—CO—，基团—CH(OH)—或低碳烷基基团，A代表[式2]其中R3代表氢原子、低碳氧基基团或类似基团，p代表1或2，R4代表咪唑基低碳基团或类似基团。
• UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF
  申请人：RAPT THERAPEUTICS, INC.

  公开号：US20210317134A1

  公开（公告）日：2021-10-14

  Disclosed herein, inter alia, compounds and methods of use thereof for the modulation of USP7 activity.

  本公开的内容包括化合物及其使用方法，用于调节USP7活性。