5-(5-甲基-2-噻吩基)-1,2-恶唑 | 138716-32-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 5-(5-甲基-2-噻吩基)-1,2-恶唑
• 英文名称: 5-(5-methylthiophene-2-yl)isoxazole
• 英文别名: 5-(5-Methylthiophen-2-yl)isoxazole；5-(5-methylthiophen-2-yl)-1,2-oxazole
• CAS: 138716-32-2
• 化学式: C₈H₇NOS
• 分子量: 165.216
• InChiKey: ZDPFRUDQPUUDEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  54.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(5-甲基-2-噻吩基)-1,2-恶唑 在 一水合肼 、 溶剂黄146 作用下， 反应 18.0h， 生成 (5-methyl-thiophen-2-yl)-[7-(3-nitro-phenyl)-pyrazolo[1,5-a]pyrimidin-3-yl]-methanone
  参考文献：
  名称：

  Pyrazolo[1,5-a]pyrimidin-7-yl phenyl amides as novel antiproliferative agents: Exploration of core and headpiece structure–activity relationships

  摘要：

  A novel series of antiproliferative agents containing pyrazolo[1,5-a]pyrimidin-7-yl phenyl amides, selective for p21-deficient cells, were identified by high-throughput screening. Exploration of the SAR relationships in the headpiece, core, and tailpiece is described. Strict steric, positional, and electronic requirements were observed, with a clear preference for both core nitrogens, a thienoyl headpiece, and meta substituted tailpiece. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.116
• 作为产物：
  描述：

  2-乙酰-5-甲基噻吩 在 盐酸羟胺 作用下， 以 甲醇 为溶剂， 反应 33.0h， 生成 5-(5-甲基-2-噻吩基)-1,2-恶唑
  参考文献：
  名称：

  含有恶唑、异恶唑或异噻唑亚基的新型呋喃和噻吩衍生物的实验和理论研究

  摘要：

  摘要在此，我们对新设计的噻吩或呋喃基恶唑、异恶唑和异噻唑衍生物进行了联合实验和理论研究。我们制备目标化合物的合成方法基于范洛森反应。通过遵循该反应，从合适的呋喃或噻吩衍生物与甲苯磺酰甲基异氰化物 (TOSMIC) 的反应中获得含有相关杂环系统的恶唑 (1 和 2)。因此，还首次成功合成了呋喃或噻吩的三个环系，它们与恶唑环的 2 位和 5 位（3 位和 4 位）相连。2-位含有乙酰基的原料与二甲基乙缩醛反应，然后用盐酸羟胺处理，得到所需的异恶唑衍生物（5和6）。此外，异噻唑衍生物（7 和 8）是按照与异恶唑合成相似的方法制备的。所有这些环化反应都以良好到极好的产率发生。通过适当的光谱方法（UV-vis、FT-IR、LC-MS、1H-NMR、13C-NMR和元素分析）进行合成化合物的结构分析。我们还进行了理论研究，以确定结构-活性关系并确定所研究分子的化学性质。为此，我们获得了有关结构特性（键

  DOI：

  10.1007/s11224-016-0863-1

文献信息

• Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity
  申请人：Torrens Jover Antoni

  公开号：US20070009597A1

  公开（公告）日：2007-01-11

  The present invention relates to an active substance combination comprising at least one compound with neuropeptide Y-receptor affinity, preferably neuropeptide Y5-receptor affinity, and at least one compound with 5-HT 6 receptor affinity, a medicament comprising said active substance combination, and the use of said active substance combination for the manufacture of a medicament.

  本发明涉及一种活性物质组合，包括至少一种具有神经肽Y受体亲和力的化合物，优选为神经肽Y5受体亲和力，以及至少一种具有5-HT6受体亲和力的化合物，一种包含该活性物质组合的药物，以及使用该活性物质组合制造药物。
• Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments
  申请人：Torrens Jover Antoni

  公开号：US20070032482A1

  公开（公告）日：2007-02-08

  The present invention relates to benzoxazinone-derived sulphonamide compounds of general formula (I), a process for their preparation, a medicament comprising these compounds and the use of benzoxazinone-derived sulphonamide compounds for the preparation of medicaments for 5-HT 6 receptor regulation as well as for the treatment of disorders related thereto.

  本发明涉及一般式(I)的苯并噁唑酮衍生磺酰胺化合物，其制备过程，包含这些化合物的药物以及苯并噁唑酮衍生磺酰胺化合物用于制备5-HT6受体调节剂药物以及治疗与之相关的疾病。
• ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY
  申请人：Torrens Jover Antoni

  公开号：US20120128768A1

  公开（公告）日：2012-05-24

  The present invention relates to an active substance combination comprising at least one compound with neuropeptide Y-receptor affinity and at least one compound with 5-HT6 receptor affinity, a medicament comprising said active substance combination, and the use of said active substance combination for the manufacture of a medicament.

  本发明涉及一种活性物质组合物，包括至少一种具有神经肽Y受体亲和力的化合物和至少一种具有5-HT6受体亲和力的化合物，以及包含该活性物质组合物的药物和使用该活性物质组合物制造药物的用途。
• SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS
  申请人：Mas Prio Josep

  公开号：US20090209528A1

  公开（公告）日：2009-08-20

  The present invention relates to substituted tetrahydroisoquinoline compounds of general formula (I), a process for their preparation, medicaments comprising said substituted tetrahydroisoquinoline compounds as well as the use of said substituted tetrahydroisoquinoline compounds for the preparation of medicaments, which are particularly suitable for the prophylaxis and/or treatment of disorders or diseases that are at least partially mediated via 5-HT 6 receptors.

  本发明涉及一般式(I)的取代四氢异喹啉化合物，其制备方法，包含所述取代四氢异喹啉化合物的药物以及利用所述取代四氢异喹啉化合物制备药物，特别适用于预防和/或治疗至少部分通过5-HT6受体介导的疾病或疾病的用途。
• Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity
  申请人：Buschmann Helmut Heinrich

  公开号：US20100074955A1

  公开（公告）日：2010-03-25

  The present invention relates to an active substance combination comprising at least one compound with 5-HT 6 receptor affinity, and at least NMDA-receptor ligand, a medicament comprising said active substance combination, and the use of said active substance combination for the manufacture of a medicament.