5-tert-butyl-4,5,6,7-tetrahydro-benzo[d]isoxazole | 22252-97-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-tert-butyl-4,5,6,7-tetrahydro-benzo[d]isoxazole
• 英文别名: 5-Tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole；5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole
• CAS: 22252-97-7
• 化学式: C₁₁H₁₇NO
• 分子量: 179.262
• InChiKey: OEENEKFDIVAJSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-tert-butyl-2-(hydroxymethylene) cyclohexanone 在 盐酸羟胺 作用下， 以 溶剂黄146 为溶剂， 反应 4.0h， 生成 5-tert-butyl-4,5,6,7-tetrahydro-benzo[d]isoxazole
  参考文献：
  名称：

  Stereochemistry of .beta.-keto ester and .beta.-keto nitrile alkylations

  摘要：

  DOI：

  10.1021/jo00826a037

文献信息

• COMPOUND AS ACC INHIBITOR AND USE THEREOF
  申请人：NANJING SANHOME PHARMACEUTICAL CO., LTD.

  公开号：US20200165265A1

  公开（公告）日：2020-05-28

  Disclosed are a class of compounds which are inhibitors of acetyl-CoA carboxylase (ACC) and the use thereof. In particular, provided are compounds as shown in formula I or isomers, pharmaceutically acceptable salts, solvates, crystals or prodrugs thereof, and methods for preparing the same, and pharmaceutical compositions comprising the compounds and the use of the compounds or compositions for treating and/or preventing diseases associated with ACC expression, such as fibrotic diseases, metabolic diseases, cancers or tissue hyperplasia diseases. The compound has a good inhibitory activity against ACC and shows good promise to be a therapeutic drug for fibrotic diseases, metabolic diseases, cancers or tissue hyperplasia diseases.

  公开了一类化合物，这些化合物是乙酰辅酶A羧化酶（ACC）的抑制剂及其用途。具体地，提供了如公式I所示的化合物或其异构体，药学上可接受的盐、溶剂合物、晶体或前药，以及制备这些化合物的方法，以及包含这些化合物的药物组合物和用于治疗和/或预防与ACC表达相关的疾病的化合物或组合物的用途，如纤维化疾病、代谢性疾病、癌症或组织增生疾病。该化合物对ACC具有良好的抑制活性，并显示出成为治疗纤维化疾病、代谢性疾病、癌症或组织增生疾病的治疗药物的良好前景。
• Compound as ACC inhibitor and use thereof
  申请人：NANJING SANHOME PHARMACEUTICAL CO., LTD.

  公开号：US11186587B2

  公开（公告）日：2021-11-30

  Disclosed are a class of compounds which are inhibitors of acetyl-CoA carboxylase (ACC) and the use thereof. In particular, provided are compounds as shown in formula I or isomers, pharmaceutically acceptable salts, solvates, crystals or prodrugs thereof, and methods for preparing the same, and pharmaceutical compositions comprising the compounds and the use of the compounds or compositions for treating and/or preventing diseases associated with ACC expression, such as fibrotic diseases, metabolic diseases, cancers or tissue hyperplasia diseases. The compound has a good inhibitory activity against ACC and shows good promise to be a therapeutic drug for fibrotic diseases, metabolic diseases, cancers or tissue hyperplasia diseases.

  本发明公开了一类乙酰-CoA羧化酶（ACC）抑制剂化合物及其用途。特别是，提供了如式 I 所示的化合物或异构体、其药学上可接受的盐、溶液剂、晶体或原药，以及制备方法、包含该化合物的药物组合物和该化合物或组合物用于治疗和/或预防与 ACC 表达相关的疾病，如纤维化疾病、代谢性疾病、癌症或组织增生疾病。该化合物对 ACC 具有良好的抑制活性，很有希望成为纤维化疾病、代谢性疾病、癌症或组织增生疾病的治疗药物。
• Stereochemistry of .beta.-keto ester and .beta.-keto nitrile alkylations
  作者：Martin E. Kuehne

  DOI：10.1021/jo00826a037

  日期：1970.1.1