4-(4-Fluorphenoxymethyl)-piperidin | 63608-35-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(4-Fluorphenoxymethyl)-piperidin
• 英文别名: 4-(p-Fluorophenoxymethyl)piperidine；4-(4-fluorophenoxymethyl)piperidine；4-((4-Fluorophenoxy)methyl)piperidine；4-[(4-fluorophenoxy)methyl]piperidine
• CAS: 63608-35-5
• 化学式: C₁₂H₁₆FNO
• 分子量: 209.264
• InChiKey: RERPCSOKGBHYNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-溴甲基吡啶 、 4-(4-Fluorphenoxymethyl)-piperidin 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 4-[4-(4-Fluoro-phenoxymethyl)-piperidin-1-ylmethyl]-pyridine;0.25hydrate
  参考文献：
  名称：

  Novel piperidine .sigma. receptor ligands as potential antipsychotic drugs

  摘要：

  Sigma receptor ligands represent a new class of potential antipsychotic drugs. This paper presents the structure-activity relationships leading to novel disubstituted piperidine sigma ligands, which have little or no affinity for dopamine D2 receptors. Selectivity for sigma sites over dopamine D2 or serotonin 5-HT2 receptors appears to be governed by the chemical nature of the piperidine nitrogen substituent, its distance from the basic nitrogen, and its orientation relative to the other piperidine substituent. Several of these compounds have good oral potency in some animal models used to evaluate potential antipsychotic drugs. The N-cyclopropylmethyl ketones and ethers (e.g. 6i (DuP 734), 6q, 18a, and 18n) have the best in vivo potency. Compounds 6i (DuP 734) and 6q did not cause catalepsy in the rat, even at very high doses. On the basis of the pharmacology profiles of these sigma ligands, we propose these compounds may be effective antipsychotic drugs, which do not induce extrapyramidal side effects or tardive dyskinesia.

  DOI：

  10.1021/jm00101a012
• 作为产物：
  描述：

  (+/-)-4-[(4-fluorophenyl)hydroxy]methyl-1-piperidinecarboxylic acid, 1,1-dimethyl-ethylester 以 盐酸 为溶剂， 反应 48.0h， 生成 4-(4-Fluorphenoxymethyl)-piperidin
  参考文献：
  名称：

  New linear cyclic ureas

  摘要：

  化合物的式子(I)：其中：V代表单键或烷基链，M代表单键或烷基链，A和E分别代表氮或CH，但至少有一个A或E代表氮，W代表式子(i)，(ii)或(iii)的基团：其中：X代表羰基，磺酰基或硫氧化物，G1、G2和G3如说明书中所定义，T代表融合苯基团或融合吡啶基团，R1代表氢、线性或支链(C1-C6)烷基、芳基或芳基-(C1-C6)烷基，其中烷基部分是线性或支链的，R2a和R2b相同或不同，如说明书中所定义，R3代表芳基或杂环芳基-A，其中每个基团都可以选择性地被取代，Y代表芳氧基、杂芳氧基或杂环芳基-B，其中每个基团都可以选择性地被取代，其异构体、水合物、溶剂化物和其与药用可接受酸的加合物。含有此化合物的药物在治疗已知存在内皮功能障碍的疾病或病理条件中有用。

  公开号：

  US20030191132A1

文献信息

• Nitrogen containing heterocyclic compounds and medicines containing the same
  申请人：——

  公开号：US20040167224A1

  公开（公告）日：2004-08-26

  Compounds represented by the following general formula: 1 (wherein X 1 , X 2 , X 3 and X 4 each independently represent a single bond, C 1-6 alkylene, etc.; A 2 represents optionally substituted phenyl, etc.; A 1 represents an optionally substituted 5- to 7-membered heterocyclic group containing —C(═Q 1 )— (wherein Q 1 represents oxygen, sulfur or ═N—R 11 (wherein R 11 represents hydrogen or C 1-6 alkyl)) and nitrogen, etc.; and Z 1 represents piperidin-diyl, etc.), salts thereof and hydrates of the foregoing.

  由以下一般式表示的化合物： 1 （其中X 1 、X 2 、X 3 和X 4 分别独立表示单键，C 1-6 烷基等；A 2 表示可选择地取代的苯基等；A 1 表示可选择地取代的含有—C(═Q 1 )—的5-至7-成员杂环基团（其中Q 1 表示氧、硫或═N—R 11 （其中R 11 表示氢或C 1-6 烷基））和氮等；以及Z 1 表示哌啶二基等），以及其盐和上述化合物的水合物。
• [EN] NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] NOUVEAUX ACRYLAMIDES HÉTÉROCYCLIQUES ET LEUR UTILISATION EN TANT QUE PRODUITS PHARMACEUTIQUES
  申请人：FAB PHARMA SAS

  公开号：WO2011061214A1

  公开（公告）日：2011-05-26

  The invention relates to novel heterocyclic acrylamide compounds (I), to the preparation of the compounds and intermediates used therein, to the use of the compounds as antibacterial medicaments and pharmaceutical compositions containing the compounds.

  这项发明涉及新颖的杂环丙烯酰胺化合物（I），涉及该化合物及其中间体的制备，涉及将该化合物用作抗菌药物以及含有该化合物的药物组合物的用途。
• New linear or cyclic ureas
  申请人：——

  公开号：US20010009911A1

  公开（公告）日：2001-07-26

  Compound of formula (I): 1 wherein: V represents a single bond or an alkylene chain, M represents a single bond or an alkylene chain, A and E each represents nitrogen or CH, but at least one of the two groups A or E represents nitrogen, W represents a group of formula (i), (ii) or (iii): 2 wherein: X represents carbonyl, sulphonyl or sulphoxide, G 1 , G 2 and G 3 are as defined in the description, T represents a fused phenyl group or a fused pyridyl group, R 1 represents hydrogen, linear or branched (C 1 -C 6 )alkyl, aryl or aryl-(C 1 -C 6 )alkyl in which the alkyl moiety is linear or branched, R 2a and R 2b , which are the same or different, are as defined in the description, R 3 represents aryl or heteroaryl-A as defined in the description, each of which groups may optionally be substituted, Y represents aryloxy, heteroaryloxy or heteroaryl-B as defined in the description, each of which groups may optionally be substituted, its isomers, its hydrates, its solvates and addition salts thereof with a pharmaceutically acceptable acid. Medicinal products containing the same which are useful in the treatment of diseases or pathological conditions in which endothelial dysfunction is known.

  化合物的化学式（I）如下：其中：V代表单键或烷基链，M代表单键或烷基链，A和E各代表氮或CH，但两个基团A或E中至少有一个代表氮，W代表化学式（i）、（ii）或（iii）中的一个基团：其中：X代表酰基、磺酰基或亚砜基，G1、G2和G3如描述中定义，T代表融合苯基团或融合吡啶基团，R1代表氢、线性或支链（C1-C6）烷基、芳基或芳基-(C1-C6)烷基，其中烷基基团是线性或支链的，R2a和R2b，相同或不同，如描述中定义，R3代表芳基或杂芳基-A如描述中定义，这些基团可以选择性地被取代，Y代表芳氧基、杂芳氧基或杂芳基-B如描述中定义，这些基团可以选择性地被取代，以及其异构体、水合物、溶剂合物及其与药用酸的加合物。含有该化合物的药物产品可用于治疗已知存在内皮功能障碍的疾病或病理状况。
• New linear cyclic ureas
  申请人：——

  公开号：US20030191132A1

  公开（公告）日：2003-10-09

  Compound of formula (I): 1 wherein: V represents a single bond or an alkylene chain, M represents a single bond or an alkylene chain, A and E each represents nitrogen or CH, but at least one of the two groups A or E represents nitrogen, W represents a group of formula (i), (ii) or (iii): 2 wherein: X represents carbonyl, sulphonyl or sulphoxide, G 1 , G 2 and G 3 are as defined in the description, T represents a fused phenyl group or a fused pyridyl group, R 1 represents hydrogen, linear or branched (C 1 -C 6 )alkyl, aryl or aryl-(C 1 -C 6 )alkyl in which the alkyl moiety is linear or branched, R 2a and R 2b , which are the same or different, are as defined in the description, R 3 represents aryl or heteroaryl-A as defined in the description, each of which groups may optionally be substituted, Y represents aryloxy, heteroaryloxy or heteroaryl-B as defined in the description, each of which groups may optionally be substituted, its isomers, its hydrates, its solvates and addition salts thereof with a pharmaceutically acceptable acid. Medicinal products containing the same which are useful in the treatment of diseases or pathological conditions in which endothelial dysfunction is known.

  化合物的式子(I)：其中：V代表单键或烷基链，M代表单键或烷基链，A和E分别代表氮或CH，但至少有一个A或E代表氮，W代表式子(i)，(ii)或(iii)的基团：其中：X代表羰基，磺酰基或硫氧化物，G1、G2和G3如说明书中所定义，T代表融合苯基团或融合吡啶基团，R1代表氢、线性或支链(C1-C6)烷基、芳基或芳基-(C1-C6)烷基，其中烷基部分是线性或支链的，R2a和R2b相同或不同，如说明书中所定义，R3代表芳基或杂环芳基-A，其中每个基团都可以选择性地被取代，Y代表芳氧基、杂芳氧基或杂环芳基-B，其中每个基团都可以选择性地被取代，其异构体、水合物、溶剂化物和其与药用可接受酸的加合物。含有此化合物的药物在治疗已知存在内皮功能障碍的疾病或病理条件中有用。
• NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS
  申请人：Gerusz Vincent

  公开号：US20120277207A1

  公开（公告）日：2012-11-01

  The invention relates to novel heterocyclic acrylamide compounds (I), to the preparation of the compounds and intermediates used therein, to the use of the compounds as antibacterial medicaments and pharmaceutical compositions containing the compounds.

  本发明涉及新型杂环丙烯酰胺化合物（I），以及制备该化合物和其中所使用的中间体，将该化合物用作抗菌药物以及含有该化合物的制药组合物。