2-(2-Hydroxy-ethylthio)-5,6,7,8-tetrahydro-benzothieno<2,3-d>pyrimidin-4(3H)-on

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 2-(2-Hydroxy-ethylthio)-5,6,7,8-tetrahydro-benzothieno<2,3-d>pyrimidin-4(3H)-on
• 英文别名: 2-((2-hydroxyethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one；2-(2-hydroxyethylsulfanyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
• 化学式: C₁₂H₁₄N₂O₂S₂
• 分子量: 282.387
• InChiKey: SCSXUFXKBAGGRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ethyl 2-(3-benzoylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 、 2-溴乙醇 在 sodium hydroxide 作用下， 生成 2-(2-Hydroxy-ethylthio)-5,6,7,8-tetrahydro-benzothieno<2,3-d>pyrimidin-4(3H)-on
  参考文献：
  名称：

  Mehrcyclische Azine mit Heteroatomen in 1- und 3-Stellung, 22. Mitt。Eine einfache Synthese von 2-Alkylthio-4-amino-thieno[2,3-d]pyrimidinen

  摘要：

  Die Reaktion von 2-Benzoylthioureido-thiophen-3-carbonitrilen D/8,9 it verd. NaOHliefert die 4-Amino-thieno[2,3-d]pyrimidin-2 (1H)-thione E/10, 11. Die Verbindungen D reagieren inalkalischer Lösung mit verschiedenen Alkylhalogeniden in einer Synthesestufe zu den-4-Alkylthione氨基-噻吩并[2, 3-d]嘧啶 F/12-18 在guten Ausbeuten中。Die Hydrolyse von Führt zu den 4-Amino-thieno[2, 3-d]pyrimidin-2 (1H)-onen G/19, 20

  DOI：

  10.1002/ardp.19893220407

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。
• LEISTNER, S.;GUTSHOW, M.;WAGNER, G., ARCH. PHARM., 322,(1989) N, C. 227-230
  作者：LEISTNER, S.、GUTSHOW, M.、WAGNER, G.

  DOI：——

  日期：——
• 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.
• Mehrcyclische Azine mit Heteroatomen in 1- und 3-Stellung, 22. Mitt. Eine einfache Synthese von 2-Alkylthio-4-amino-thieno[2,3-d]pyrimidinen
  作者：Siegfried Leistner、Michael Gütschow、Günther Wagner

  DOI：10.1002/ardp.19893220407

  日期：——

  (1H)‐thione E/10, 11. Die Verbindungen D reagieren in alkalischer Lösung mit verschiedenen Alkylhalogeniden in einer Synthesestufe zu den 2‐Alkylthio‐4‐amino‐thieno[2, 3‐d]pyrimidinen F/12‐18 in guten Ausbeuten. Die Hydrolyse von F führt zu den 4‐Amino‐thieno[2, 3‐d]pyrimidin‐2 (1H)‐onen G/19, 20. Die ms Fragmentierung von E/10, 11 und G/19, 20 wird diskutiert.

  Die Reaktion von 2-Benzoylthioureido-thiophen-3-carbonitrilen D/8,9 it verd. NaOHliefert die 4-Amino-thieno[2,3-d]pyrimidin-2 (1H)-thione E/10, 11. Die Verbindungen D reagieren inalkalischer Lösung mit verschiedenen Alkylhalogeniden in einer Synthesestufe zu den-4-Alkylthione氨基-噻吩并[2, 3-d]嘧啶 F/12-18 在guten Ausbeuten中。Die Hydrolyse von Führt zu den 4-Amino-thieno[2, 3-d]pyrimidin-2 (1H)-onen G/19, 20