7-溴-2-氯苯并噻唑 | 1188227-29-3

• 物质功能分类: 香精与香料 - 合成香料 - 内酯和含氧杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 7-溴-2-氯苯并噻唑
• 英文名称: 7-bromo-2-chlorobenzothiazole
• 英文别名: 7-Bromo-2-chlorobenzo[D]thiazole；7-bromo-2-chloro-1,3-benzothiazole
• CAS: 1188227-29-3
• 化学式: C₇H₃BrClNS
• 分子量: 248.531
• InChiKey: AHKIFAZHPYSUNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  29342000
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  7-溴-2-氯苯并噻唑 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 sodium carbonate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 65.0~100.0 ℃ 、103.42 kPa 条件下， 反应 48.0h， 生成 methyl 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)benzothiazole-7-carboxylate
  参考文献：
  名称：

  Small molecules enhance functional O-mannosylation of Alpha-dystroglycan

  摘要：

  Alpha-dystroglycan (alpha-DG), a highly glycosylated receptor for extracellular matrix proteins, plays a critical role in many biological processes. Hypoglycosylation of alpha-DG results in various types of muscular dystrophies and is also highly associated with progression of majority of cancers. Currently, there are no effective treatments for those devastating diseases. Enhancing functional O-mannosyl glycans (FOG) of alpha-DG on the cell surfaces is a potential approach to address this unmet challenge. Based on the hypothesis that the cells can up-regulate FOG of alpha-DG in response to certain chemical stimuli, we developed a cell-based high-throughput screening (HTS) platform for searching chemical enhancers of FOG of alpha-DG from a large chemical library with 364,168 compounds. Sequential validation of the hits from a primary screening campaign and chemical works led to identification of a cluster of compounds that positively modulate FOG of alpha-DG on various cell surfaces including patient-derived myoblasts. These compounds enhance FOG of alpha-DG by almost ten folds, which provide us powerful tools for O-mannosylation studies and potential starting points for the development of drug to treat dystroglycanopathy. (c) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.11.011
• 作为产物：
  描述：

  3-溴-2-氟苯胺 在 磺酰氯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 7-溴-2-氯苯并噻唑
  参考文献：
  名称：

  Small molecules enhance functional O-mannosylation of Alpha-dystroglycan

  摘要：

  Alpha-dystroglycan (alpha-DG), a highly glycosylated receptor for extracellular matrix proteins, plays a critical role in many biological processes. Hypoglycosylation of alpha-DG results in various types of muscular dystrophies and is also highly associated with progression of majority of cancers. Currently, there are no effective treatments for those devastating diseases. Enhancing functional O-mannosyl glycans (FOG) of alpha-DG on the cell surfaces is a potential approach to address this unmet challenge. Based on the hypothesis that the cells can up-regulate FOG of alpha-DG in response to certain chemical stimuli, we developed a cell-based high-throughput screening (HTS) platform for searching chemical enhancers of FOG of alpha-DG from a large chemical library with 364,168 compounds. Sequential validation of the hits from a primary screening campaign and chemical works led to identification of a cluster of compounds that positively modulate FOG of alpha-DG on various cell surfaces including patient-derived myoblasts. These compounds enhance FOG of alpha-DG by almost ten folds, which provide us powerful tools for O-mannosylation studies and potential starting points for the development of drug to treat dystroglycanopathy. (c) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.11.011

文献信息

• Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof
  申请人：Wu Xiaohua

  公开号：US10221168B1

  公开（公告）日：2019-03-05

  The present invention provides compounds that can enhance functional O-mannosylation of proteins including alpha-dystroglycan. Also provided are methods of preparation of the compounds defined by the formula I. Also provided are the methods of using the compounds or the pharmaceutical acceptable salts or prodrugs thereof in treating and preventing subjects suffering from the diseases including muscular dystrophies and cancers.

  本发明提供了一种可以增强蛋白质的O-甘露糖基化功能，包括α-骨骼肌糖蛋白的化合物。还提供了一种按照式I定义的化合物的制备方法。同时提供了使用这些化合物或其药用可接受的盐或前药来治疗和预防患有包括肌肉萎缩症和癌症在内的疾病的方法。
• 一种稠杂环芳烃衍生物、其制备和应用
  申请人：华中科技大学

  公开号：CN111349090B

  公开（公告）日：2021-08-31

  本发明属于光电材料应用科技领域，更具体地，涉及一种稠杂环芳烃衍生物、其制备和应用。该类材料是在吩噻嗪氧的氮杂位点桥接苯并杂环，并在苯并杂环的共轭位点进一步修饰以实现化合物的刚性结构的调控和共轭的延长，有效的提高了材料的热稳定性，其在可见光区较高的折射率和较低的消光系数大大提高了器件的光取出效率，是一种优良的覆盖层材料；该稠杂环芳烃衍生物，具有如式(一)所示的结构式：其中，X选自O、S或O＝S＝O；R1、R2、R3和R4各自独立的选自烷基、由取代基取代或未取代的成环碳数为6‑30的芳基、由取代基取代或未取代的成环原子数为3‑30的杂芳基和由取代基取代或未取代的三芳胺基。
• Imaging Agents Useful for Identifying AD Pathology
  申请人：Kolb Hartmuth C.

  公开号：US20100098634A1

  公开（公告）日：2010-04-22

  Provided herein are compounds and compositions which comprise the formulae as disclosed herein, wherein the compound is an amyloid binding compound. An amyloid binding compound according to the invention may be administered to a patient in amounts suitable for in vivo imaging of amyloid deposits, and distinguish between neurological tissue with amyloid deposits and normal neurological tissue. Amyloid probes of the invention may be used to detect and quantitate amyloid deposits in diseases including, for example, Down's syndrome, familial Alzheimer's Disease. In another embodiment, the compounds may be used in the treatment or prophylaxis of neurodegenerative disorders. Also provided herein are methods of allowing the compound to distribute into the brain tissue, and imaging the brain tissue, wherein an increase in binding of the compound to the brain tissue compared to a normal control level of binding indicates that the mammal is suffering from or is at risk of developing a neurodegenerative disease.

  本文提供的化合物和组合物包含如下所述的公式，其中该化合物是一种淀粉样蛋白结合化合物。本发明的淀粉样蛋白结合化合物可以以适量的方式用于体内成像淀粉样沉积物，以区分含有淀粉样沉积物的神经组织和正常神经组织。本发明的淀粉样探针可以用于检测和定量测量包括唐氏综合症、家族性阿尔茨海默病在内的疾病中的淀粉样沉积物。在另一实施例中，这些化合物可以用于治疗或预防神经退行性疾病。本文还提供了一种使化合物分布到脑组织中并成像脑组织的方法，其中与正常结合水平相比，化合物与脑组织的结合增加表明哺乳动物正在患有或有发展神经退行性疾病的风险。
• 7-AMINOFUROPYRIDINE DERIVATIVES
  申请人：Hornberger Keith R.

  公开号：US20120046267A1

  公开（公告）日：2012-02-23

  Compounds of Formula 1, as shown below and defined herein: pharmaceutically acceptable salts thereof, synthesis, intermediates, formulations, and methods of disease treatment therewith, including treatment of cancers, such as tumors driven at least in part by TAK1 or for which an appropriate TAK1 inhibitor is effective. This Abstract is not limiting of the invention.

  公式1的化合物，如下所示并在此定义：其药学上可接受的盐，合成方法，中间体，配方以及使用它们进行疾病治疗的方法，包括治疗癌症，例如由TAK1至少部分驱动的肿瘤或适当的TAK1抑制剂有效的肿瘤。本摘要不限于该发明。
• 7-aminofuropyridine derivatives
  申请人：Hornberger Keith R.

  公开号：US08378104B2

  公开（公告）日：2013-02-19

  Compounds of Formula 1, as shown below and defined herein: pharmaceutically acceptable salts thereof, synthesis, intermediates, formulations, and methods of disease treatment therewith, including treatment of cancers, such as tumors driven at least in part by TAK1 or for which an appropriate TAK1 inhibitor is effective. This Abstract is not limiting of the invention.

  本发明涉及公式1的化合物，如下所示并在此定义：其药学上可接受的盐，合成方法，中间体，制剂以及使用其进行疾病治疗的方法，包括治疗癌症，例如由TAK1驱动或适用于TAK1抑制剂有效的肿瘤。本摘要不限制本发明。