2-(2-iodoethyl)benzo[b]thiophene | 260273-70-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 2-(2-iodoethyl)benzo[b]thiophene
• 英文别名: 2-(2-Jod-aethyl)-benzo[b]thiophen；2-(2-Iodoethyl)-1-benzothiophene
• CAS: 260273-70-9
• 化学式: C₁₀H₉IS
• 分子量: 288.152
• InChiKey: YNPYAQYTXACICO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(2-iodoethyl)benzo[b]thiophene 在 吡啶 、 乙醇 、 氯仿 、 五氯化磷 、 一水合肼 作用下， 生成 1-phenyl-3,4-dihydro-benzo[4,5]thieno[3,2-c]pyridine
  参考文献：
  名称：

  Thianaphtheno [3,2-c]pyridine and Certain Derivatives

  摘要：

  DOI：

  10.1021/ja01099a054
• 作为产物：
  描述：

  苯并噻吩 在 正丁基锂 、 三乙胺 、 sodium iodide 作用下， 以 乙醚 、 丙酮 为溶剂， 生成 2-(2-iodoethyl)benzo[b]thiophene
  参考文献：
  名称：

  New 2-substituted 1,2,3,4-tetrahydrobenzofuro[3,2- c ]pyridine having highly active and potent central α 2 -antagonistic activity as potential antidepressants

  摘要：

  The synthesis and biological activity of a series of benzofuro[3,2-c]pyridines and a benzothieno[3,2-c]pyridine are described. These compounds exhibit high affinity for the alpha(2)-adrenoceptor, with high selectivity versus the alpha(1)-receptor. Compound 1 also shows potent in vivo central activity and has been selected for further biological and clinical evaluation. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00591-0

文献信息

• Selective Electron Transfer Reduction of Urea‐Type Carbonyls
  作者：Huan‐Ming Huang、David J. Procter

  DOI：10.1002/ejoc.201800794

  日期：2019.1.23

  Urea‐type carbonyls in barbiturates undergo a highly chemoselective electron transfer reduction upon treatment with SmI2/H2O/LiBr. The process involves the formation, and further reduction, of unusual ketyl‐type radical anions under mild conditions. Cyclic aminal products are obtained in good to excellent yield without recourse to preactivation of the substrate or the use of metal hydride reagents

  用SmI 2 / H 2 O / LiBr处理后，巴比妥酸酯中的尿素型羰基会发生高度化学选择性的电子转移还原。该过程涉及在温和条件下形成并进一步还原异常的酮基型自由基阴离子。以良好或优异的收率获得环状的氨基产物，而无需借助底物的预活化或使用金属氢化物试剂。此外，改变与SmI 2结合使用的质子添加剂允许获得中等的血红蛋白。
• Malic enzyme inhibitors
  申请人：SUN PHARMA ADVANCED RESEARCH COMPANY LTD

  公开号：US11225480B2

  公开（公告）日：2022-01-18

  The present invention relates to novel compounds useful as malic enzyme (ME) inhibitors, processes for their preparation and use of these compounds for the therapeutic treatment of disorders mediated by ME such as cancers (e.g. pancreatic ductal adenocarcinoma (PDAC)) in humans. The novel compounds have a structure according to Formula I or a pharmaceutically acceptable salt, stereoisomer or deuterated analog thereof, wherein X, R1, R2 and Y are as described herein.

  本发明涉及可用作苹果酸酶（ME）抑制剂的新型化合物、其制备工艺以及这些化合物用于治疗由ME介导的疾病，如人类癌症（如胰腺导管腺癌（PDAC））。这些新型化合物具有符合式 I 的结构 或其药学上可接受的盐、立体异构体或氚代类似物，其中 X、R1、R2 和 Y 如本文所述。
• MALIC ENZYME INHIBITORS
  申请人：SUN PHARMA ADVANCED RESEARCH COMPANY LTD

  公开号：US20210115038A1

  公开（公告）日：2021-04-22

  The present invention relates to novel compounds useful as malic enzyme (ME) inhibitors, processes for their preparation and use of these compounds for the therapeutic treatment of disorders mediated by ME such as cancers (e.g. pancreatic ductal adenocarcinoma (PDAC)) in humans.