1-chloro-3-[(3-fluorophenyl) thio]-propane | 124929-81-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-chloro-3-[(3-fluorophenyl) thio]-propane
• 英文别名: 3-Chloropropyl 3-fluorophenyl sulfide；1-(3-chloropropylsulfanyl)-3-fluorobenzene
• CAS: 124929-81-3
• 化学式: C₉H₁₀ClFS
• 分子量: 204.696
• InChiKey: BWORRXABYPYNRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-chloro-3-[(3-fluorophenyl) thio]-propane 、 (3-endo)-3-(4-chlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol 在 potassium carbonate 、 potassium iodide 作用下， 以 乙二醇二甲醚 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Further evaluation of the tropane analogs of haloperidol

  摘要：

  Previous work from our labs has indicated that a tropane analog of haloperidol with potent D2 binding but designed to avoid the formation of MPP(+)-like metabolites, such as 4-(4-chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)pyridin-1-ium (BCPP(+)) still produced catalepsy, suggesting a strong role for the D2 receptor in the production of catalepsy in rats, and hence EPS in humans. This study tested the hypothesis that further modifications of the tropane analog to produce compounds with less potent binding to the D2 receptor than haloperidol, would produce less catalepsy. These tests have now revealed that while haloperidol produced maximum catalepsy, these compounds produced moderate to low levels of catalepsy. Compound 9, with the least binding affinity to the D2R, produced the least catalepsy and highest Minimum Adverse Effective Dose (MAED) of the analogs tested regardless of their affinities at other receptors including the 5-HT1AR. These observations support the hypothesis that moderation of the D2 binding of the tropane analogs could reduce catalepsy potential in rats and consequently EPS in man.

  DOI：

  10.1016/j.bmcl.2014.07.018
• 作为产物：
  描述：

  3-氟苯硫酚 、 1-溴-3-氯丙烷 生成 1-chloro-3-[(3-fluorophenyl) thio]-propane
  参考文献：
  名称：

  Substituted anilinic piperidines as MCH selective antagonists

  摘要：

  本发明涉及选择性拮抗黑色素浓集激素-1（MCH1）受体的化合物。本发明提供了一种药物组合物，包括本发明化合物的治疗有效量和药学上可接受的载体。本发明提供了一种由本发明化合物的治疗有效量和药学上可接受的载体组成的药物组合物。本发明还提供了一种制备药物组合物的方法，包括将本发明化合物的治疗有效量和药学上可接受的载体组合。

  公开号：

  US20070043080A1

文献信息

• Novel 4-cyanophenyl derivatives with action against cardiac arrhythmia
  申请人：Aktiebolaget Hassle

  公开号：US05034411A1

  公开（公告）日：1991-07-23

  This application relates to novel 4 cyanophenyl derivatives which are useful for the treatment of cardiac arrhythmia and pharmaceutical compositions containing these compounds as the active ingredients.

  本申请涉及新颖的4-氰基苯基衍生物，这些衍生物对于治疗心律失常具有用途，以及含有这些化合物作为活性成分的药物组合物。
• Novel antiarrhythmic agents II
  申请人：Aktiebolaget Hässle

  公开号：EP0322389A2

  公开（公告）日：1989-06-28

  Novel compounds of the formula wherein A is a group useful for the treatment of cardiac arrythmia, pharmaceutical compositions containing such compounds as active ingredients, processes for preparation of such compounds as well as intermediates for their preparation.

  式中的新型化合物 其中 A 是一个基团 可用于治疗心律失常的新型化合物、含有此类化合物作为活性成分的药物组合物、制备此类化合物的工艺以及制备此类化合物的中间体。
• SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES
  申请人：Bristol-Myers Squibb Pharma Company

  公开号：EP1192165B1

  公开（公告）日：2004-09-22
• US6713471B1
  申请人：——

  公开号：US6713471B1

  公开（公告）日：2004-03-30
• USRE39679E1
  申请人：——

  公开号：USRE39679E1

  公开（公告）日：2007-06-05