(1H-indol-5-yl)(4-methylpiperazin-1-yl)methanone | 640734-92-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (1H-indol-5-yl)(4-methylpiperazin-1-yl)methanone
• 英文别名: (1H-indol-5-yl)-4-methylpiperazin-1-yl-methanone；(1H-indol-5-yl)-(4-methylpiperazin-1-yl)methanone；5-(4-methylpiperazin-1-ylcarbonyl)indole；5-(4-Methylpiperazin-1-ylcarbonyl)indol；Piperazine,1-(1h-indol-5-ylcarbonyl)-4-methyl-；1H-indol-5-yl-(4-methylpiperazin-1-yl)methanone
• CAS: 640734-92-5
• 化学式: C₁₄H₁₇N₃O
• mdl: MFCD13177562
• 分子量: 243.308
• InChiKey: UMBOKCRMDZGECP-UHFFFAOYSA-N

物化性质

• 沸点：
  449.0±35.0 °C(Predicted)
• 密度：
  1.228±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.357
• 拓扑面积：
  39.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (1H-indol-5-yl)(4-methylpiperazin-1-yl)methanone 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 5-(4-methylpiperazin-1-ylmethyl)-1H-indole
  参考文献：
  名称：

  Novel and Potent 5-Piperazinyl Methyl-N₁-aryl Sulfonyl Indole Derivatives as 5-HT₆ Receptor Ligands

  摘要：

  The exclusive distribution of 5-HT6 receptors in the brain regions associated with learing and memory makes it an ideal target for cognitive disorders. A novel series of 5-piperazinyl methyl-N-1-aryl sulfonyl indoles were designed and synthesized as 5-HT6R ligands. Most of the synthesized compounds are potent when tested by in vitro radiogland binding assay. The lead compound from the series does not have the CYP liabilities and is active in an animal model of cognition.

  DOI：

  10.1021/ml100101u
• 作为产物：
  描述：

  (4-methylpiperazin-1-yl)-[4-nitro-3-[2-(pyrrolidin-1-yl)vinyl]phenyl]methanone 在 一水合肼 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 5.0h， 生成 (1H-indol-5-yl)(4-methylpiperazin-1-yl)methanone
  参考文献：
  名称：

  Novel and Potent 5-Piperazinyl Methyl-N₁-aryl Sulfonyl Indole Derivatives as 5-HT₆ Receptor Ligands

  摘要：

  The exclusive distribution of 5-HT6 receptors in the brain regions associated with learing and memory makes it an ideal target for cognitive disorders. A novel series of 5-piperazinyl methyl-N-1-aryl sulfonyl indoles were designed and synthesized as 5-HT6R ligands. Most of the synthesized compounds are potent when tested by in vitro radiogland binding assay. The lead compound from the series does not have the CYP liabilities and is active in an animal model of cognition.

  DOI：

  10.1021/ml100101u

文献信息

• JAK INHIBITOR
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：EP2108642A1

  公开（公告）日：2009-10-14

  A JAK inhibitor comprising, as an active ingredient, a nitrogen-containing heterocyclic compound represented by formula (I) wherein W represents a nitrogen atom or -CH-; X represents -C (=O) - or -CHR4- (wherein R4 represents a hydrogen atom, or the like); R1 represents the formula described below [wherein Q1 represents-CR8-(wherein R8 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like); Q2 represents -NR15- (wherein R15 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like); and R5 and R6 may be the same or different and each represents a hydrogen atom, halogen, carboxy, substituted or unsubstituted lower alkyl, or the like], or the like; and R2 and R3 may be the same or different and each represents a hydrogen atom, halogen, substituted or unsubstituted lower alkyl, or the like} or a pharmaceutically acceptable salt thereof.

  一种JAK抑制剂，其作为活性成分的是由式(I)表示的含氮杂环化合物 其中W代表氮原子或-CH-; X代表-C(=O)-或-CHR4-(其中R4代表氢原子或类似物); R1代表下述式[其中Q1代表-CR8-(其中R8代表氢原子、取代或未取代的较低烷基或类似物); Q2代表-NR15-(其中R15代表氢原子、取代或未取代的较低烷基或类似物);而R5和R6可以相同也可以不同，每个代表氢原子、卤素、羧基、取代或未取代的较低烷基或类似物，或类似物;而 R2和R3可以相同也可以不同，每个代表氢原子、卤素、取代或未取代的较低烷基或类似物}或其药学上可接受的盐。
• Nitrogen-containing heterocyclic compound
  申请人：Murakata Chikara

  公开号：US20090054407A1

  公开（公告）日：2009-02-26

  The present invention provides a nitrogen-containing heterocyclic compound represented by formula (I): wherein W represents a nitrogen atom or —CH—; X represents —C(═O)— or —CHR 4 — (wherein R 4 represents a hydrogen atom, or the like); R 1 represents a group represented by the following formula: [wherein Q 1 represents a nitrogen atom or —CR 8 — (wherein R 8 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like). Q 2 represents —NR 15 — (wherein R 15 represents a hydrogen atom, or the like) and R 5 and R 6 may be the same or different and each represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like]; and R 2 and R 3 may be the same or different and each represents a hydrogen atom, halogen, substituted or unsubstituted lower alkyl, or the like} or a pharmaceutically acceptable salt thereof, and the like.

  本发明提供了一种含氮杂环化合物，其由式(I)表示：其中W代表氮原子或—CH—；X代表—C(═O)—或—CHR4—（其中R4代表氢原子或类似物）；R1代表由以下式表示的基团：[其中Q1代表氮原子或—CR8—（其中R8代表氢原子、取代或未取代的低级烷基或类似物）。Q2代表—NR15—（其中R15代表氢原子或类似物），R5和R6可以相同也可以不同，每个代表氢原子、取代或未取代的低级烷基或类似物]；R2和R3可以相同也可以不同，每个代表氢原子、卤素、取代或未取代的低级烷基或类似物}或其药学上可接受的盐等。
• 5-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS
  申请人：Ramakrishna Venkata Satya Nirogi

  公开号：US20100041673A1

  公开（公告）日：2010-02-18

  Compounds including 5-(Heterocyclyl)alkyl-N-(arylsulfonyl)indole, their derivatives, their stereoisomers, their pharmaceutically acceptable salts and pharmaceutically acceptable compositions containing them and a process for the preparation of these compounds, their derivatives, their stereoisomers, their pharmaceutically acceptable salts and pharmaceutically acceptable compositions containing them. These compounds are useful in the treatment of various disorders that are related to 5-HT6 receptor functions. Specifically, the compounds of this invention are also useful in the treatment of various CNS disorders, hematological disorders, eating disorders, diseases associated with pain, respiratory diseases, genito-urological disorders, cardiovascular diseases and cancer.

  这是一段关于化合物的描述，包括5-（杂环基）烷基-N-（芳基磺酰基）吲哚，它们的衍生物，立体异构体，药学上可接受的盐和含有它们的药学上可接受的组合物以及制备这些化合物，它们的衍生物，立体异构体，药学上可接受的盐和含有它们的药学上可接受的组合物的过程。这些化合物在治疗与5-HT6受体功能相关的各种疾病方面非常有用。具体而言，本发明的化合物还可用于治疗各种中枢神经系统疾病，血液学疾病，进食障碍，与疼痛有关的疾病，呼吸系统疾病，泌尿生殖系统疾病，心血管疾病和癌症。
• 5-(heterocyclyl)alkyl-N-(arylsulfonyl)indole compounds and their use as 5-HT6 ligands
  申请人：Ramakrishna Venkata Satya Nirogi

  公开号：US08470830B2

  公开（公告）日：2013-06-25

  Compounds including 5-(Heterocyclyl)alkyl-N-(arylsulfonyl)indole, their derivatives, their stereoisomers, their pharmaceutically acceptable salts and pharmaceutically acceptable compositions containing them and a process for the preparation of these compounds, their derivatives, their stereoisomers, their pharmaceutically acceptable salts and pharmaceutically acceptable compositions containing them. These compounds are useful in the treatment of various disorders that are related to 5-HT6 receptor functions. Specifically, the compounds of this invention are also useful in the treatment of various CNS disorders, hematological disorders, eating disorders, diseases associated with pain, respiratory diseases, genito-urological disorders, cardiovascular diseases and cancer.

  本发明涉及包括5-(杂环基)烷基-N-(芳基磺酰基)吲哚、它们的衍生物、立体异构体、药学上可接受的盐以及包含它们的药学上可接受的组合物的化合物，以及制备这些化合物、它们的衍生物、立体异构体、药学上可接受的盐和药学上可接受的组合物的方法。这些化合物对与5-HT6受体功能相关的各种疾病的治疗有用。具体而言，本发明的化合物还对各种中枢神经系统疾病、血液学疾病、进食障碍、与疼痛相关的疾病、呼吸系统疾病、泌尿生殖系统疾病、心血管疾病和癌症的治疗有用。
• BIVALENT AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：Zhou Jia

  公开号：US20150057248A1

  公开（公告）日：2015-02-26

  Embodiments of the invention are directed to compounds that are positive allosteric modulators of AMPA receptors.

  本发明的实施例涉及正向变构调节剂，其对AMPA受体具有作用的化合物。