(2E)-4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (2E)-4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one
• 化学式: C₂₂H₂₃Cl₂N₃OS
• 分子量: 448.4
• InChiKey: LHYMPSWMHXUWSK-KGENOOAVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Process for the preparation of 2-(4-alkyl-1-piperazinyl)-benzaldehyde and -benzylidenyl compounds
  申请人：Pfizer Inc.

  公开号：US20030087914A1

  公开（公告）日：2003-05-08

  The present invention relates to a novel process for the preparation of a compound of formula I: 1 wherein R 1 is defined herein and compounds of formula II: 2 wherein R 1 and R 2 are defined herein. Said compound of formula I is useful in the treatment of various central nervous system disorders including depression.

  本发明涉及一种制备化合物的新方法，该化合物的化学式为I:1其中R1在此处定义，并且化合物的化学式为II:2其中R1和R2在此处定义。化学式I的化合物在治疗包括抑郁在内的各种中枢神经系统疾病中具有用途。
• Process for the preparation of 2-substituted 2-[-(4-methylpiperazin-1-yl)-benzylidene]-thiomorpholin-3-one citrate
  申请人：Pfizer Products Inc.

  公开号：EP1746091A1

  公开（公告）日：2007-01-24

  The present invention provides a process for the preparation of a citric acid salt of a compound of formula II: wherein R1 and R2 have the meanings given in the specification, comprising the steps of: (i) allowing a compound of formula III, described herein, to react with a compound of formula IV, described herein, in the presence of a metal carbonate and wherein said process is characterized by the use of water as solvent, excluding mixtures of water and organic solvents; to form a compound of formula I, described herein; (ii) reacting the compound of formula I as formed in step (i) with an acyl chloride or hydrochloric acid dissolved in an aqueous alkanol; (iii) reacting the hydrochloride salt of the compound of formula I formed in step (ii) in the presence of a base in a suitable solvent with a compound of formula V, described herein, to form the compound of formula II; and (iv) mixing the compound of formula II and citric acid in a suitable solvent to form a citric acid salt.

  本发明提供了一种制备式 II 化合物柠檬酸盐的工艺： 其中 R1 和 R2 具有说明书中给出的含义，包括以下步骤 (i) 使本文所述的式 III 化合物在金属碳酸盐存在下与本文所述的式 IV 化合物反应，其中所述 工艺的特征在于使用水作为溶剂，不包括水和有机溶剂的混合物；以形成本文所述的式 I 化合物； (ii) 将步骤(i)中形成的式 I 化合物与溶解在烷醇水溶液中的酰基氯或盐酸反应； (iii) 在碱存在下，在适当溶剂中使步骤(ii)中形成的式 I 化合物盐酸盐与本文所述的式 V 化合物反应，形成式 II 化合物；以及 (iv) 将式 II 化合物和柠檬酸在合适的溶剂中混合，形成柠檬酸盐。
• Combination therapy with 5HT 1A and 5HT 1B-receptor antagonists
  申请人：Leonardi Amedeo

  公开号：US20050165025A1

  公开（公告）日：2005-07-28

  Described is the novel use of combinations of molecules endowed with antagonistic activity toward the serotonin 5-HT 1A or 5-HT 1B receptor, and of molecules simultaneously endowed with antagonistic activity at both said receptors. These compounds and their enantiomers, diastereoisomers, N-oxides, polymorphs, solvates, prodrugs, and pharmaceutically acceptable salts are useful in the treatment of patients with neuromuscular dysfunction of the lower urinary tract. Also described are the pharmaceutical compositions containing them. There is also provided a method of therapeutic treatment of urinary disorders in a mammal, including man, comprising administering to said mammal, including man, in need of such treatment, a therapeutically effective amount of a composition according to the invention.

  描述了具有拮抗血清素 5-HT 1A 或 5-HT 1B 受体具有拮抗活性的分子组合，以及同时对上述两种受体具有拮抗活性的分子组合。这些化合物及其对映体、非对映异构体、N-氧化物、多晶型物、溶解物、原药和药学上可接受的盐可用于治疗下尿路神经肌肉功能障碍患者。还描述了含有它们的药物组合物。还提供了一种治疗哺乳动物（包括人）泌尿系统疾病的方法，包括给需要这种治疗的哺乳动物（包括人）施用治疗有效量的根据本发明的组合物。
• Process for the preparation of 2-(4-Alkyl-1-Piperazinyl)-Benzaldehyde and -Benzylidenyl compounds by Nucleophilc Aromatic Substitution of 2-Fluorobenzaldehyde with 4-Alkyl-1-Piperazine in Water as Solvent
  申请人：Pfizer Products Inc.

  公开号：EP1288208B1

  公开（公告）日：2006-07-12
• COMBINATION THERAPY WITH 5-HT sb 1A /sb AND 5-HT sb 1B /sb RECEPTOR ANTAGONISTS
  申请人：Recordati Ireland Limited

  公开号：EP1706147A2

  公开（公告）日：2006-10-04