1-异丙基哌啶-4-硫醇 | 156757-18-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-异丙基哌啶-4-硫醇
• 英文名称: 1-isopropyl-piperidine-4-thiol
• 英文别名: 1-(1 Methylethyl)piperidine 4-thiol；1-Isopropylpiperidine-4-thiol；1-propan-2-ylpiperidine-4-thiol
• CAS: 156757-18-5
• 化学式: C₈H₁₇NS
• 分子量: 159.296
• InChiKey: SELJYUCBDMFSGB-UHFFFAOYSA-N

物化性质

• 沸点：
  208.0±33.0 °C(Predicted)
• 密度：
  0.96±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  4.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-异丙基哌啶-4-硫醇 在 盐酸 、 sodium ethanolate 作用下， 以 四氢呋喃 、 异丙醇 为溶剂， 生成 5-Chloro-3-[[1-(1-methylethyl)piperidin-4-yl]thio]-1H-indole
  参考文献：
  名称：

  Novel 3-(4-piperidinylthio)-1 H -indoles as potent nonopioid orally active central analgesics

  摘要：

  A series of 3-(4-piperidinylthio)-1H-indoles was synthesized and evaluated in mice in the phenylbenzoquinone(PBQ)-induced writhing and hot plate tests. Most of these compounds are good analgesics with activities comparable to that of morphine. Among them compound 1i (UP 237-61), which has a strong serotonin binding profile, has an interesting antinociceptive activity which is not reversed by naloxone. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00102-5
• 作为产物：
  描述：

  1-异丙基-4-哌啶酮 在 硫化氢 、 sodium tetrahydroborate 作用下， 以 异丙醇 为溶剂， 生成 1-异丙基哌啶-4-硫醇
  参考文献：
  名称：

  Novel 3-(4-piperidinylthio)-1 H -indoles as potent nonopioid orally active central analgesics

  摘要：

  A series of 3-(4-piperidinylthio)-1H-indoles was synthesized and evaluated in mice in the phenylbenzoquinone(PBQ)-induced writhing and hot plate tests. Most of these compounds are good analgesics with activities comparable to that of morphine. Among them compound 1i (UP 237-61), which has a strong serotonin binding profile, has an interesting antinociceptive activity which is not reversed by naloxone. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00102-5

文献信息

• Scalable synthesis of imidazole derivatives
  申请人：Jones K. Todd

  公开号：US20050250948A1

  公开（公告）日：2005-11-10

  Imidazole derivatives, compositions containing them, methods of preparing them, including regioselective scale-up synthetic methods, and methods of using them.

  咪唑衍生物，含有它们的组合物，制备它们的方法，包括选择性区域放大合成方法，以及使用它们的方法。
• BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE
  申请人：Heffron Timothy

  公开号：US20120245144A1

  公开（公告）日：2012-09-27

  Benzoxazepin Formula I compounds, including stereoisomers, geometric isomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting the delta isoform of PI3K, and for treating disorders mediated by lipid kinases such as inflammation, immunological disorders, and cancer. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  本句翻译为中文是：苯并恶唑啉I型化合物，包括立体异构体、几何异构体、互变异构体、代谢物以及药学上可接受的盐，对于抑制PI3K的δ异构体以及治疗由脂质激酶介导的疾病如炎症、免疫疾病和癌症是有用的。公开了使用I型化合物公式进行体外、原位和体内诊断、预防或治疗哺乳动物细胞中此类疾病或相关病理状况的方法。
• [EN] BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE<br/>[FR] COMPOSÉS DE BENZOXAZÉPINE SÉLECTIFS POUR PI3K P110 DELTA ET LEURS MÉTHODES D'UTILISATION
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012126901A1

  公开（公告）日：2012-09-27

  Benzoxazepin Formula (I) compounds, including stereoisomers, geometric isomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting the delta isoform of PI3K, and for treating disorders mediated by lipid kinases such as inflammation, immunological disorders, and cancer. Methods of using compounds of Formula (I) for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  Benzoxazepin Formula (I) 化合物，包括立体异构体、几何异构体、互变异构体、代谢物和药学上可接受的盐，对于抑制PI3K的δ异构体以及治疗由脂质激酶介导的炎症、免疫性疾病和癌症是有用的。本文还揭示了使用Formula (I) 化合物在哺乳动物细胞中进行体外、体内和原位诊断、预防或治疗此类疾病或相关病理情况的方法。
• Benzoxazepin compounds selective for PI3K P110 delta and methods of use
  申请人：Heffron Timothy

  公开号：US09090628B2

  公开（公告）日：2015-07-28

  Benzoxazepin Formula I compounds, including stereoisomers, geometric isomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting the delta isoform of PI3K, and for treating disorders mediated by lipid kinases such as inflammation, immunological disorders, and cancer. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  Benzoxazepin Formula I 化合物，包括立体异构体、几何异构体、互变异构体、代谢物和药学上可接受的盐，用于抑制PI3K的delta亚型，以及用于治疗由脂质激酶介导的疾病，如炎症、免疫性疾病和癌症。本文揭示了使用Formula I化合物进行哺乳动物细胞内、原位和体内诊断、预防或治疗此类疾病或相关病理条件的方法。
• SCALABLE SYNTHESIS OF IMIDAZOLE DERIVATIVES
  申请人：JONES Todd K.

  公开号：US20090143591A1

  公开（公告）日：2009-06-04

  Imidazole derivatives, compositions containing them, methods of preparing them, including regioselective scale-up synthetic methods, and methods of using them.

  咪唑衍生物、含有它们的组合物、制备它们的方法（包括区域选择性放大合成方法）以及使用它们的方法。