1-(4-chlorobutoxy)-4-fluorobenzene | 81936-77-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(4-chlorobutoxy)-4-fluorobenzene
• CAS: 81936-77-8
• 化学式: C₁₀H₁₂ClFO
• 分子量: 202.656
• InChiKey: XWBGSKRMOMJQHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-chlorobutoxy)-4-fluorobenzene 、 2-(methyl-4-piperidinylamino)-6-benzothiazolol dihydrobromide 在 sodium carbonate 作用下， 以 N,N-二甲基乙酰胺 、 异丙醇 为溶剂， 以18 g (58.9%)的产率得到2-[[1-[4-(4-fluorophenoxy)butyl]-4-piperidinyl]-methylamino]-6-benzothiazolol (Z)-2-butenedioate
  参考文献：
  名称：

  N-\x9b\x9b1-\x9b4-(4-fluorophenoxy)butyl!-4-pi

  摘要：

  2-（4-氟苯氧基）丁基-4-哌啶甲氨基苯并噻唑醇s ## STR1 ##其中R.sup.1或R.sup.2是羟基，另一个变量始终是氢，并且其药物可接受的酸盐也包括在内。本发明揭示了新化合物、制药组合物以及它们作为III类抗心律失常药物的用途。

  公开号：

  US05691354A1

文献信息

• Novel cyclic amide derivatives
  申请人：——

  公开号：US20030212094A1

  公开（公告）日：2003-11-13

  Novel compounds represented by the following formula (I) that act as a ligand to sigma receptor/binding cite and a medicament comprising the same as an active ingredient: 1 wherein X represents an alkyl group, an aryl group, a heterocyclic group or the like; Q represents a group represented by —CH 2 —, —CO—, —O—, —CH(OR 7 )— or the like wherein R 7 represents a hydrogen atom, an alkyl group or the like; n represents an integer of from 0 to 5; R 1 and R 2 each represent a hydrogen atom, an alkyl group or the like; B represents either of the following groups: 2 wherein R 3 , R 4 , R 5 , and R 6 each represent a hydrogen atom, a halogen atom, an alkoxyl group or the like; m represents 1 or 2; and the ring of: 3 represents an aromatic heterocyclic ring.

  以下公式（I）表示的新化合物作为sigma受体/结合位点的配体，并包括作为活性成分的药物： 其中X代表烷基、芳基、杂环基或类似基团；Q代表由—CH 2 —、—CO—、—O—、—CH(OR 7 )—或类似基团表示的基团，其中R 7 代表氢原子、烷基或类似基团；n代表从0到5的整数；R 1 和R 2 各自代表氢原子、烷基或类似基团；B代表以下任一基团： 其中R 3 、R 4 、R 5 和R 6 各自代表氢原子、卤素原子、烷氧基或类似基团；m代表1或2；以及： 代表芳香杂环环。
• [EN] N-ÄÄ1-Ä4-(4-FLUOROPHENOXY)BUTYLÜ-4-PIPERIDINYLÜ-N-METHYLAMINOÜ-2-BENZOTHIAZOLOLS AS CLASS III ANTIARRHYTHMIC AGENTS<br/>[FR] N-[[1-[4-(4-FLUOROPHENOXY)BUTYL]4-PIPERIDINYL]-N-METHYLAMINO]-2-BENZOTHIAZOLOLES UTILISES EN TANT QU'AGENTS ANTIARYTHMIQUES
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：WO1994029305A1

  公开（公告）日：1994-12-22

  (EN) 2-[[1-[4-(4-fluorophenoxy)butyl]-4-piperidinyl]methylamino]-benzothiazololes of formula (I), wherein R1 or R2 is hydroxy, the other variable always being hydrogen, and the pharmaceutically acceptable acid addition salts thereof. Novel compounds, pharmaceutical compositions, as well as their use as a class III antiarrhythmicum is disclosed.(FR) 2-[[1-[4-(4-fluorophénoxy)butyl]-4-pipéridinyl]méthylamino]-benzothiazololes de formule (I), dans laquelle R1 ou R2 représente hydroxy, l'autre variable représentant toujours hydrogène, et des sels d'addition d'acide pharmaceutiquement acceptables de ces derniers. Des nouveaux composés, des compositions pharmaceutiques ainsi que leur utilisation en tant qu'antiarythmicum de classe II sont également décrits.

  2-[[1-[4-(4-氟苯氧基)丁基]-4-哌啶基]甲基氨基]-苯并噻唑烷(I)的化合物，其中R1或R2为羟基，另一变量始终为氢，以及其药学上可接受的酸加成盐。本发明还涉及新化合物、制药组合物以及它们作为III类抗心律失常剂的用途。
• NOVEL CYCLIC AMIDE DERIVATIVES
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1260512A1

  公开（公告）日：2002-11-27

  Novel compounds represented by the following formula (I) that act as a ligand to sigma receptor/binding cite and a medicament comprising the same as an active ingredient: wherein X represents an alkyl group, an aryl group, a heterocyclic group or the like; Q represents a group represented by -CH2-, -CO-, -O-, -CH(OR7)- or the like wherein R7 represents a hydrogen atom, an alkyl group or the like; n represents an integer of from 0 to 5; R1 and R2 each represent a hydrogen atom, an alkyl group or the like; B represents either of the following groups: wherein R3, R4, R5, and R6 each represent a hydrogen atom, a halogen atom, an alkoxyl group or the like; m represents 1 or 2; and the ring of: represents an aromatic heterocyclic ring.

  由下式(I)代表的可作为σ受体/结合引物的配体的新型化合物以及以其为有效成分的药物： 其中 X 代表烷基、芳基、杂环基或类似基团； Q 代表-CH2-、-CO-、-O-、-CH(OR7)-或类似基团，其中 R7 代表氢原子、烷基或类似基团； n 代表 0 至 5 的整数； R1 和 R2 各自代表氢原子、烷基或类似基团； B 代表以下任一基团： 其中 R3、R4、R5 和 R6 各自代表氢原子、卤素原子、烷氧基或类似基团；m 代表 1 或 2；环的： 代表芳香杂环。
• 10.1021/acs.jmedchem.4c00480
  作者：Li, Peng、Zhang, Qiang、Zheng, Hailin、Qiao, Yupu、Snyder, Gretchen L.、Martin, Terry、Yao, Wei、Zhang, Lei、Davis, Robert E.

  DOI：10.1021/acs.jmedchem.4c00480

  日期：——

  pyridopyrroloquinoxalinone derivatives with analgesic properties. The receptor binding profiles and analgesic properties of these tetracyclic compounds were studied. Systematic optimizations of this novel scaffold culminated in the discovery of the clinical candidate, (6bR,10aS)-8-[3-(4-fluorophenoxy)propyl]-6b,7,8,9,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-2(3H)-one (compound 5, ITI-333)

  开发更有效且安全性更高的药物来管理和治疗多种形式的疼痛是医疗保健的关键要素。为此，我们设计并合成了一类具有镇痛特性的新型四环吡咯并喹喔啉酮衍生物。研究了这些四环化合物的受体结合特征和镇痛特性。对这种新型支架的系统优化最终发现了临床候选物 (6 bR ,10 aS )-8-[3-(4-氟苯氧基)丙基]-6 b ,7,8,9,10,10 a - hexaHydro-1 H -pyrido[3',4':4,5]pyrrolo[1,2,3- de ]quinoxalin-2(3 H )-one（化合物5 ，ITI-333），表现出有效的结合亲和力与血清素 5-HT 2A ( K i = 8.3 nM) 和 μ-阿片受体 (MOR， K i = 11 nM) 具有中等亲和力，对肾上腺素 α 1A ( K i = 28 nM) 和多巴胺 D 1 ( K i = 50) nM）受体。 ITI-333 充当
• Effects of chronic mild stress on rats selectively bred for behavior related to bipolar disorder and depression
  作者：Ryan Murray、Katherine A. Boss-Williams、Jay M. Weiss

  DOI：10.1016/j.physbeh.2013.05.042

  日期：2013.7

  To test the possibility that chronic mild stress (CMS) might be unreliable in producing its often-intended outcome (i.e., decreased preference for sucrose, hypothesized to represent depression-relevant anhedonia) because it is typically applied to "normal" rats, a CMS procedure was applied to rats that may possess genetic susceptibility to affective disorders, having had been selectively-bred to show behavior indicative of such disorders. These rat lines were: Hyperactive (HYPER) rats, which show characteristics of bipolar disorder, Swim-test Susceptible (SUS) and Swim-test Resistant (RES) rats, being susceptible or resistant to effects of stress in the swim test, Swim High-active (SwHi) and Swim Low-active (SwLo) rats, which innately show high or low activity in the swim test These selectively-bred lines were compared to normal, non-selectively bred (NS) rats. During CMS, HYPER rats, both females and males, as well as RES and SwHi rats, showed reduced consumption of a palatable 2% sucrose solution, and reduced preference for sucrose (vs. water) in comparison to non-stressed rats (no CMS) of the same lines. In contrast, CMS produced no decrease in sucrose consumption or in preference for sucrose in normal NS rats, and actually a caused a slight increase in sucrose consumption and preference in male NS rats. Other measures that indicate depression - food intake and motor activity in the home cage - were also assessed. SwLo and SwHi showed greater sensitivity to having their home-cage ambulatory activity reduced by CMS than did NS rats, but no other such differences relative to NS rats were seen for these other measures; thus, changes in sucrose intake or preference could not be explained by a change in caloric intake. These results suggest that the genetic attributes of animals can influence the outcome of CMS, and that the application of CMS to normal, non-selected rats may account, at least in part, for the unreliability of CMS in decreasing consumption of palatable substances and decreasing preference for such substances. (C) 2013 Published by Elsevier Inc.