4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-piperidin-1-yl]-pentan-1-one | 1001467-91-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-piperidin-1-yl]-pentan-1-one
• 英文别名: 4-methyl-1-[4-(3-thiophen-2-yl[1,2,4]oxadiazol-5-yl)piperid-1-yl]pentan-1-one；4-Methyl-1-[4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-one；4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one
• CAS: 1001467-91-9
• 化学式: C₁₇H₂₃N₃O₂S
• 分子量: 333.455
• InChiKey: QWPAQBJBWLSPSH-UHFFFAOYSA-N

物化性质

• 沸点：
  515.6±60.0 °C(Predicted)
• 密度：
  1.176±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  87.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  Tert-butyl 4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate 在 盐酸 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 1,4-二氧六环 、 乙醇 、 二氯甲烷 为溶剂， 反应 26.0h， 生成 4-methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-piperidin-1-yl]-pentan-1-one
  参考文献：
  名称：

  COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF

  摘要：

  本发明涉及具有增强抗生素活性的化合物，这些抗生素通过EthA酶途径可激活，用于制备预防和/或治疗如结核病和麻风病等分枝杆菌感染的药物；涉及包含这些化合物与通过EthA途径可激活的抗生素组合的药物组合物；涉及具有增强通过EthA酶途径可激活抗生素活性的化合物；涉及包含这些化合物的药物组合物；以及涉及它们作为药物，特别是用于预防和/或治疗如结核病和麻风病等分枝杆菌感染的药物的使用。

  公开号：

  US20110136823A1

文献信息

• Compounds having a potentiating effect on the activity of ethionamide and uses thereof
  申请人：Institut Pasteur de Lille

  公开号：US08338599B2

  公开（公告）日：2012-12-25

  The present invention relates to the use of compounds with a potentiating effect on the activity of antibiotics that are activatable via the EthA enzymatic pathway, for the preparation of a medicament for preventing and/or treating mycobacterial infections such as tuberculosis and leprosy, to pharmaceutical compositions comprising them in combination with an antibiotic that is activatable via the EthA pathway, to compounds having a potentiating effect on the activity of antibiotics that are activatable via the EthA enzymatic pathway, to pharmaceutical compositions comprising them and to their use as medicaments, especially medicaments for preventing and/or treating mycobacterial infections such as tuberculosis and leprosy.

  本发明涉及利用可通过EthA酶途径激活的化合物对抗生素活性具有增强作用，用于制备用于预防和/或治疗结核病和麻风等分枝杆菌感染的药物，以及与可通过EthA途径激活的抗生素组合的药物组合物，具有增强抗生素活性的化合物，包括制备这些药物组合物和它们作为药物的用途，特别是预防和/或治疗结核病和麻风等分枝杆菌感染的药物。
• COMPOSES A EFFET POTENTIALISATEUR DE L'ACTIVITE DE L'ETHIONAMIDE ET LEURS APPLICATIONS
  申请人：INSTITUT PASTEUR DE LILLE

  公开号：EP2044064A1

  公开（公告）日：2009-04-08
• US8338599B2
  申请人：——

  公开号：US8338599B2

  公开（公告）日：2012-12-25
• [EN] COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF<br/>[FR] COMPOSES A EFFET POTENTIALISATEUR DE L'ACTIVITE DE L'ETHIONAMIDE ET LEURS APPLICATIONS
  申请人：PASTEUR INSTITUT

  公开号：WO2008003861A1

  公开（公告）日：2008-01-10

  [EN] The present invention relates to the use of compounds having a potentiating effect on the activity of antibiotics activatable via the EthA enzymatic pathway, for the preparation of a medicament for use in preventing and/or treating mycobacterial infections such as tuberculosis and leprosy, to the pharmaceutical compositions containing them in combination with an antibiotic activatable via the EthA pathway, to compounds having a potentiating effect on the activity of antibiotics activatable via the EthA enzymatic pathway, to the pharmaceutical compositions containing them and to their use as a medicament, in particular a medicament for use in preventing and/or treating mycobacterial infections such as tuberculosis and leprosy.
  [FR] La présente invention se rapporte à l'utilisation de composés ayant un effet potentialisateur de l'activité d'antibiotiques activables par la voie enzymatique de l'EthA pour la préparation d'un médicament destiné à prévenir et/ou à traiter les infections mycobactériennes telles que la tuberculose et la lèpre, aux compositions pharmaceutiques les comprenant en association avec un antibiotique activable par la voie de l'EthA, à des composés ayant un effet potentialisateur de l'activité d'antibiotiques activables par la voie enzymatique de l'EthA, aux compositions pharmaceutiques les comprenant et à leur utilisation à titre de médicament, notamment de médicament destiné à prévenir et/ou à traiter les infections mycobactériennes telles que la tuberculose et la lèpre.
• COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF
  申请人：Deprez Benôit

  公开号：US20110136823A1

  公开（公告）日：2011-06-09

  The present invention relates to the use of compounds with a potentiating effect on the activity of antibiotics that are activatable via the EthA enzymatic pathway, for the preparation of a medicament for preventing and/or treating mycobacterial infections such as tuberculosis and leprosy, to pharmaceutical compositions comprising them in combination with an antibiotic that is activatable via the EthA pathway, to compounds having a potentiating effect on the activity of antibiotics that are activatable via the EthA enzymatic pathway, to pharmaceutical compositions comprising them and to their use as medicaments, especially medicaments for preventing and/or treating mycobacterial infections such as tuberculosis and leprosy.

  本发明涉及具有增强抗生素活性的化合物，这些抗生素通过EthA酶途径可激活，用于制备预防和/或治疗如结核病和麻风病等分枝杆菌感染的药物；涉及包含这些化合物与通过EthA途径可激活的抗生素组合的药物组合物；涉及具有增强通过EthA酶途径可激活抗生素活性的化合物；涉及包含这些化合物的药物组合物；以及涉及它们作为药物，特别是用于预防和/或治疗如结核病和麻风病等分枝杆菌感染的药物的使用。