(4-tert-Butyl-phenyl)-acetic acid benzyl ester | 1046319-72-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4-tert-Butyl-phenyl)-acetic acid benzyl ester
• 英文别名: (4-Tert-butyl-phenyl)acetic acid benzyl ester；benzyl 2-(4-tert-butylphenyl)acetate
• CAS: 1046319-72-5
• 化学式: C₁₉H₂₂O₂
• 分子量: 282.382
• InChiKey: CSIOESDZRAFBSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-tert-Butyl-phenyl)-acetic acid benzyl ester 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 4-乙酰氨基苯磺酰叠氮 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  “全水”串联 Boc 脱保护和 N-Boc 苯并咪唑衍生物在可见光下与烷基芳基重氮乙酸酯的烷基化：在卡宾位点选择性插入嘌呤 N-H 键中的应用

  摘要：

  在此，我们报道了蓝色 LED 诱导的苯并咪唑衍生物与甲基芳基重氮乙酸酯的串联 Boc-脱保护和 NH-烷基化。反应发生在室温下的水中。以良好到极好的收率获得所需的产品。该反应的推定机制基于控制实验进行了讨论，并得到了 DFT 研究的支持。此外，该策略还用于通过位点选择性 N 1 -烷基化将各种嘌呤衍生物烷基化，生成无环核苷类似物。

  DOI：

  10.1021/acs.joc.2c02467
• 作为产物：
  描述：

  对叔丁基苯乙酸甲酯 在 sodium hydroxide 、 caesium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 (4-tert-Butyl-phenyl)-acetic acid benzyl ester
  参考文献：
  名称：

  Biaryl amide glucagon receptor antagonists

  摘要：

  Biaryl amides derived from a reported series of ureas 1 were evaluated and found to be potent human glucagon receptor antagonists. The benzofuran analogue 6i was administered in Sprague-Dawley rats and blocked the effects of an exogenous glucagon challenge. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.056

文献信息

• Novel Antagonists of the Glucagon Receptor
  申请人：Gomez-Galeno Jorge E.

  公开号：US20120214769A1

  公开（公告）日：2012-08-23

  The present invention provides for novel compounds of Formula (I) and pharmaceutically acceptable salts and co-crystals thereof which have glucagon receptor antagonist or inverse agonist activity. The present invention further provides for pharmaceutical compositions comprising the same as well as methods of treating, preventing, delaying the time to onset or reducing the risk for the development or progression of a disease or condition for which one or more glucagon receptor antagonist is indicated, including Type I and II diabetes, insulin resistance and hyperglycemia. The present invention also provides for processes of making the compounds of Formula I, including salts and co-crystals thereof, and pharmaceutical compositions comprising the same.

  本发明提供了式（I）的新化合物及其药学上可接受的盐和共晶体，具有胰高血糖素受体拮抗剂或反向激动剂活性。本发明还提供了包含该化合物的制药组合物，以及治疗、预防、延迟发病时间或降低一种或多种需要胰高血糖素受体拮抗剂的疾病或症状的发展或进展的方法，包括1型和2型糖尿病、胰岛素抵抗和高血糖。本发明还提供了制备式I的化合物，包括其盐和共晶体的方法，以及包含该化合物的制药组合物。
• Antagonists of the glucagon receptor
  申请人：Gomez-Galeno Jorge E.

  公开号：US08710236B2

  公开（公告）日：2014-04-29

  The present invention provides for novel compounds of Formula (I) and pharmaceutically acceptable salts and co-crystals thereof which have glucagon receptor antagonist or inverse agonist activity. The present invention further provides for pharmaceutical compositions comprising the same as well as methods of treating, preventing, delaying the time to onset or reducing the risk for the development or progression of a disease or condition for which one or more glucagon receptor antagonist is indicated, including Type I and II diabetes, insulin resistance and hyperglycemia. The present invention also provides for processes of making the compounds of Formula I, including salts and co-crystals thereof, and pharmaceutical compositions comprising the same.

  本发明提供了式(I)的新型化合物及其药学上可接受的盐和共晶体，具有胰高血糖素受体拮抗剂或逆向激动剂活性。本发明还提供了包含该化合物的制药组合物，以及治疗、预防、延缓发病时间或降低一种或多种胰高血糖素受体拮抗剂所指示的疾病或病情的风险的方法，包括I型和II型糖尿病、胰岛素抵抗和高血糖。本发明还提供了制备式(I)化合物及其盐和共晶体的方法，以及包含该化合物的制药组合物。
• NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR
  申请人：Metabasis Therapeutics, Inc.

  公开号：US20140135400A1

  公开（公告）日：2014-05-15

  The present invention provides for novel compounds of Formula (I) and pharmaceutically acceptable salts and co-crystals thereof which have glucagon receptor antagonist or inverse agonist activity. The present invention further provides for pharmaceutical compositions comprising the same as well as methods of treating, preventing, delaying the time to onset or reducing the risk for the development or progression of a disease or condition for which one or more glucagon receptor antagonist is indicated, including Type I and II diabetes, insulin resistance and hyperglycemia. The present invention also provides for processes of making the compounds of Formula I, including salts and co-crystals thereof, and pharmaceutical compositions comprising the same.

  本发明提供了一种新型化合物Formula (I)及其药学上可接受的盐和共晶体，具有胰高血糖素受体拮抗剂或反向激动剂活性。本发明还提供了包含这些化合物的药物组合物，以及用于治疗、预防、延迟发病时间或降低一种或多种胰高血糖素受体拮抗剂适用的疾病或病症的风险，包括I型和II型糖尿病、胰岛素抵抗和高血糖的方法。本发明还提供了制备Formula (I)化合物，包括其盐和共晶体，以及包含它们的药物组合物的方法。
• ANTAGONISTS OF THE GLUCAGON RECEPTOR
  申请人：Metabasis Therapeutics, Inc.

  公开号：EP2129654B1

  公开（公告）日：2014-05-28
• US8710236B2
  申请人：——

  公开号：US8710236B2

  公开（公告）日：2014-04-29