ethyl 2-amino-α-methylbenzothiazole-6-acetate | 99738-98-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: ethyl 2-amino-α-methylbenzothiazole-6-acetate
• 英文别名: 2-(2-Amino-benzothiazole-6-yl)-propionic acid ethyl ester；Ethyl 2-amino-alpha-methylbenzothiazole-6-acetate；ethyl 2-(2-amino-1,3-benzothiazol-6-yl)propanoate
• CAS: 99738-98-4
• 化学式: C₁₂H₁₄N₂O₂S
• 分子量: 250.321
• InChiKey: AMNWOQJVUVFKLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  93.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 2-amino-α-methylbenzothiazole-6-acetate 、 甲基磺酰氯 以 吡啶 为溶剂， 反应 14.0h， 以35%的产率得到2-(2-Methanesulfonylamino-benzothiazole-6-yl)-propionic acid ethyl ester
  参考文献：
  名称：

  Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions

  摘要：

  与公式I相对应的辣椒素受体配体化合物：含有这种化合物的药物组合物，生产这种化合物的方法，以及使用这种化合物治疗或抑制疼痛和各种其他疾病或症状的方法。

  公开号：

  US20090156590A1
• 作为产物：
  描述：

  2-amino-α-methyl benzothiazole-6-acetonitrile 生成 ethyl 2-amino-α-methylbenzothiazole-6-acetate
  参考文献：
  名称：

  ROWLANDS, D. A.;GOLEC, J. M. C.

  摘要：

  DOI：

文献信息

• Pyrimido[2,1-b]benzothiazoles having antiallergic activity
  申请人：Roussel Uclaf

  公开号：US04762840A1

  公开（公告）日：1988-08-09

  Novel pyrimido[2,1-b]benzothiazoles of the formula ##STR1## wherein R and R.sub.3 are individually selected from the group consisting of hydrogen and alkyl of 1 to 6 carbon atoms or taken together with the carbon to which they are attached form a cycloalkyl of 3 to 6 carbon atoms, R.sub.1 is selected from the group consisting of hydroxy, alkoxy of 1 to 12 carbon atoms, cycloalkyl of 7 to 12 carbon atoms, and ##STR2## R.sub.5 and R.sub.6 are individually selected from the group consisting of hydrogen and alkyl of 1 to 6 carbon atoms or taken together with the nitrogen form piperidino or morpholino, R.sub.2 is selected from the group consisting of hydrogen, alkyl of 1 to 6 carbon atoms, alkoxycarbonyl of 2 to 7 carbon atoms, cycloalkyl of 3 to 6 carbon atoms, heteroaryl, aralkyl and optionally substituted aryl with at least one substituent selected from the group consisting of halogen, nitro, and alkyl and alkoxy of 1 to 6 carbon atoms and their salts with non-toxic, pharmaceutically acceptable acids and bases having antiallergic activity.

  化合物的名称为Novel pyrimido[2,1-b]benzothiazoles，其化学式为##STR1##其中R和R.sub.3分别选自氢和1至6个碳原子的烷基，或与它们所连接的碳形成3至6个碳原子的环烷基；R.sub.1选自羟基、1至12个碳原子的烷氧基、7至12个碳原子的环烷基和##STR2##；R.sub.5和R.sub.6分别选自氢和1至6个碳原子的烷基，或与氮形成哌啶或吗啉基团；R.sub.2选自氢、1至6个碳原子的烷基、2至7个碳原子的烷氧羰基、3至6个碳原子的环烷基、杂环芳基、芳基烷基和至少有一种卤素、硝基、1至6个碳原子的烷基和烷氧基等取代基的可选取代芳基，并且它们与无毒、药学上可接受的酸和碱形成的盐具有抗过敏活性。
• Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions
  申请人：Frank Robert

  公开号：US20110301156A1

  公开（公告）日：2011-12-08

  Vanilloid receptor ligand compounds corresponding to formula I: pharmaceutical compositions containing such compounds, a process for producing such compounds, and methods of using such compounds for treating or inhibiting pain and various other disorders or conditions.

  Vanilloid受体配体化合物I式对应的药物组成物，含有这种化合物的药物组成物，制备这种化合物的过程，以及使用这种化合物治疗或抑制疼痛和各种其他疾病或情况的方法。
• Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions
  申请人：Gruenenthal GmbH

  公开号：US08084484B2

  公开（公告）日：2011-12-27

  Vanilloid receptor ligand compounds corresponding to formula I: pharmaceutical compositions containing such compounds, a process for producing such compounds, and methods of using such compounds for treating or inhibiting pain and various other disorders or conditions.

  公式I所对应的vanilloid受体配体化合物：包含这些化合物的药物组合物，制备这些化合物的过程，以及使用这些化合物治疗或抑制疼痛和各种其他疾病或病况的方法。
• Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions
  申请人：Frank Robert

  公开号：US08785474B2

  公开（公告）日：2014-07-22

  Vanilloid receptor ligand compounds corresponding to formula I: pharmaceutical compositions containing such compounds, a process for producing such compounds, and methods of using such compounds for treating or inhibiting pain and various other disorders or conditions.

  配方I相应的辣椒素受体配体化合物：含有这种化合物的制药组合物，生产这种化合物的过程，以及使用这种化合物治疗或抑制疼痛和各种其他疾病或症状的方法。
• ROWLANDS, D. A.;GOLEC, J. M. C.
  作者：ROWLANDS, D. A.、GOLEC, J. M. C.

  DOI：——

  日期：——