1,2-Benzisothiazol-3(2H)-one, 2-(4-(4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl)butyl)-, 1,1-dioxide | 161611-99-0

• 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: 1,2-Benzisothiazol-3(2H)-one, 2-(4-(4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl)butyl)-, 1,1-dioxide
• 英文别名: 2-[4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
• CAS: 161611-99-0
• 化学式: C₂₃H₂₆ClN₃O₅S
• 分子量: 492.0
• InChiKey: LYXKFNHUJJDTIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  87.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine hydrochloride 、 N-[4-溴丁基]糖精 在 N-[4-溴丁基]糖精 作用下， 生成 1,2-Benzisothiazol-3(2H)-one, 2-(4-(4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl)butyl)-, 1,1-dioxide
  参考文献：
  名称：

  2,3-dihydro-1,4-benzodioxin-5-yl-piperazine derivatives having 5-HT

  摘要：

  本发明涉及具有5-HT1A拮抗活性的化合物，可用于治疗中枢神经系统疾病，其化学式为2 ##STR1## 其中R.sub.1是卤素，低碳基或烷氧基，羟基，三氟甲基或氰基，m的值为1或2，n的值为0或1，A代表一个含有2-6个C原子的烷基链，可以被一个或多个低碳基团取代，或者是一个单环(杂)芳基团，B是亚甲基，乙烯基，羰基，亚砜基，磺酰基或硫，以及其盐。

  公开号：

  US05462942A1

文献信息

• New pharmaceutical compositions having a psychotropic activity
  申请人：DUPHAR INTERNATIONAL RESEARCH B.V

  公开号：EP0189612A1

  公开（公告）日：1986-08-06

  The invention relates to new compositions with pyscho- tropic activity which comprise a compound of formula 1 as the active substance. The compounds of formula 1 are for the greater part new compounds. The invention therefore also relates to these new compounds and to the preparation thereof in a manner known for the synthesis of analogous compounds.

  该发明涉及具有心理活性的新化合物组合物，其中包括公式1的化合物作为活性物质。公式1的化合物大多数是新化合物。因此，该发明还涉及这些新化合物以及以已知合成类似化合物的方式制备它们。
• Method of using a Cox-2 inhibitor and a 5-HT1A receptor modulator as a combination therapy
  申请人：Pharmacia Corporation

  公开号：US20040147581A1

  公开（公告）日：2004-07-29

  Compositions and methods to treat or prevent pain, inflammation, or inflammation-related disorder, as well as a neurologic disorder involving neurodegrneration in a subject that is in need of such prevention or treatment involve a combination of a Cox-2 inhibitor and a 5-HT 1A receptor modulator.

  治疗或预防疼痛、炎症或炎症相关疾病，以及涉及神经退行性的神经系统疾病的组合物和方法，需要在需要预防或治疗的受试者中使用Cox-2抑制剂和5-HT1A受体调节剂。
• Aralkyl and aralkylidene heterocyclic lactams and imides
  申请人：Pfizer Inc.

  公开号：US20020091119A1

  公开（公告）日：2002-07-11

  The present invention relates to compounds of the formula 1 wherein R 1 , R 2 , R 3 , X, Y and the dashed line are defined as in the specification, to intermediates for their preparation, to pharmaceutical compositions containing them and to their medicinal use. These compounds are useful as psychotherapeutic agents.

  本发明涉及式1的化合物，其中R1、R2、R3、X、Y和虚线如规范中定义的那样，以及其制备的中间体，包含它们的制药组合物和它们的医药用途。这些化合物可用作心理治疗剂。
• 2,3-Dihydro-1,4-benzodioxin-5-yl-piperazine derivatives having 5-HT1A-antagonistic activity
  申请人：DUPHAR INTERNATIONAL RESEARCH B.V

  公开号：EP0633260A1

  公开（公告）日：1995-01-11

  The present invention is concerned with compounds having 5-HT1A antagonistic activity useful in treating CNS disorders and having formula 2 wherein R₁ is halogen, lower alkyl or alkoxy, hydroxy, trifluotomethyl or cyano, m has the value 1 or 2 and n has the value 0 or 1, A represents an alkylene chain containing 2-6 C-atoms which may be substituted with one or more lower alkyl groups or a monocyclic (hetero)aryl group, and B is methylene, ethylene, carbonyl, sulfinyl, sulfonyl or sulfur, and salts thereof.

  本发明涉及的化合物具有 5-HT1A 拮抗活性，可用于治疗中枢神经系统疾病，具有式 2 其中 R₁ 是卤素、低级烷基或烷氧基、羟基、三氟甲基或氰基、 m 的值为 1 或 2，n 的值为 0 或 1、 A 代表含有 2-6 个 C 原子的亚烷基链，可被一个或多个低级烷基或单环（杂）芳基取代，以及 B 是亚甲基、亚乙基、羰基、亚砜基、磺酰基或硫、 及其盐类。
• 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。