2-氯-1-(4,5,6,7-四氢-1-苯并噻吩-2-基)乙酮 | 263148-69-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-氯-1-(4,5,6,7-四氢-1-苯并噻吩-2-基)乙酮
• 英文名称: 2-chloroacetyl-4,5,6,7-tetrahydrobenzo[b]thiophene
• 英文别名: 2-Chloro-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethan-1-one；2-chloro-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
• CAS: 263148-69-2
• 化学式: C₁₀H₁₁ClOS
• 分子量: 214.716
• InChiKey: WABASCIARTUIJV-UHFFFAOYSA-N

物化性质

• 沸点：
  391.8±42.0 °C(Predicted)
• 密度：
  1.273±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-氯-1-(4,5,6,7-四氢-1-苯并噻吩-2-基)乙酮 在 乌洛托品 、 三乙胺 、 sodium iodide 作用下， 以 乙醇 、 氯仿 为溶剂， 反应 71.0h， 生成 N,N'-bis[2-(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-oxoethyl]thiophene-2,5-dicarboxamide
  参考文献：
  名称：

  Structure-Property Relationships in Mixed Oligoheterocycles Based on End-Capped Oligothiophenes

  摘要：

  DOI：

  10.1002/(sici)1099-0690(200002)2000:3<425::aid-ejoc425>3.0.co;2-z
• 作为产物：
  描述：

  4,5,6,7-四氢-1-苯并噻吩 、 氯乙酰氯 在 三氯化铝 作用下， 以 二硫化碳 为溶剂， 反应 20.0h， 以88%的产率得到2-氯-1-(4,5,6,7-四氢-1-苯并噻吩-2-基)乙酮
  参考文献：
  名称：

  Structure-Property Relationships in Mixed Oligoheterocycles Based on End-Capped Oligothiophenes

  摘要：

  DOI：

  10.1002/(sici)1099-0690(200002)2000:3<425::aid-ejoc425>3.0.co;2-z

文献信息

• Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor
  申请人：——

  公开号：US20040171603A1

  公开（公告）日：2004-09-02

  Described herein is the discovery that certain mycobacterial serine/threonine protein kinases, particularly protein kinase G (PknG), are effective therapeutic targets for the treatment of mycobacterial infections. Furthermore, the present application refers to the use of mycobacterial serine/threonine protein kinases for developing methods for detection and determination of these kinases for recognizing and monitoring diseases and for controlling therapy of diseases. Additionally disclosed are novel 4,5,6,7-tetrahydrobenzo[b]thiophene compounds, benzo(g)quinoxaline compounds, and pharmaceutically acceptable salts thereof, and methods of using such compounds and salts thereof for the prophylaxis and/or treatment of virally and/or bacterially induced infections, particularly mycobacteria-induced infections, including opportunistic infections, as well as pharmaceutical compositions containing at least one 4,5,6,7-tetrahydrobenzo[b]thiophene compound and/or benzo(g)quinoxaline compound and/or pharmaceutically acceptable salts thereof in a pharmaceutically acceptable carrier.

  本文描述的是发现某些分枝杆菌丝氨酸/苏氨酸蛋白激酶，特别是蛋白激酶 G (PknG)，是治疗分枝杆菌感染的有效治疗靶点。此外，本申请还涉及利用分枝杆菌丝氨酸/苏氨酸蛋白激酶开发检测和测定这些激酶的方法，用于识别和监测疾病以及控制疾病的治疗。此外，还公开了新型 4,5,6,7-四氢苯并[b]噻吩化合物、苯并（g）喹喔啉化合物及其药学上可接受的盐，以及使用此类化合物及其盐预防和/或治疗病毒和/或细菌引起的感染，特别是分枝杆菌引起的感染（包括机会性感染）的方法，以及含有至少一种 4,5,6,7-四氢苯并&lsqb；b]噻吩化合物和/或苯并(g)喹喔啉化合物和/或其药学上可接受的盐，并将其置于药学上可接受的载体中。
• 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections
  申请人：Missio Andrea

  公开号：US20090018149A1

  公开（公告）日：2009-01-15

  Described are 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and pharmaceutically acceptable salts thereof, the use of these derivatives for the prophylaxis and/or treatment of mycobacteria-induced infections and opportunistic infections, as well as compositions containing at least one 4,5,6,7-tetrahydrobenzo[b]thiophene derivative and/or pharmaceutically acceptable salts thereof. Furthermore, the present application refers to the use of mycobacterial protein serine/threonine kinases for developing methods for detection and determination of these kinases for recognising and monitoring diseases and for controlling therapy of diseases.
• Structure-Property Relationships in Mixed Oligoheterocycles Based on End-Capped Oligothiophenes
  作者：Ullrich Mitschke、Tony Debaerdemaeker、Peter Bäuerle

  DOI：10.1002/(sici)1099-0690(200002)2000:3<425::aid-ejoc425>3.0.co;2-z

  日期：2000.2