3-(chloromethyl)-5,5-dimethyl-4,5-dihydroisoxazole | 1314981-14-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 3-(chloromethyl)-5,5-dimethyl-4,5-dihydroisoxazole
• 英文别名: 3-(chloromethyl)-5,5-dimethyl-4H-1,2-oxazole
• CAS: 1314981-14-0
• 化学式: C₆H₁₀ClNO
• mdl: MFCD19236134
• 分子量: 147.605
• InChiKey: ADBFLWKOYIBFQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(chloromethyl)-5,5-dimethyl-4,5-dihydroisoxazole 在 肼 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 C-(5,5-Dimethyl-4,5-dihydro-isoxazol-3-yl)-methylamine
  参考文献：
  名称：

  Anti-influenza Virus Activities of 2-Alkoxyimino-N-(2-isoxazolin-3-ylmethyl)acetamides

  摘要：

  A series of 2-alkoxyimino-N-(2-isoxazolin-3-ylmethyl)acetamides and related compounds were synthesized and their antiviral activities against human influenza A virus were assessed. Studies of the structure-activity relationships revealed the strongest antiviral activity when position-5 of the isoxazoline ring was substituted with a tert-butyl group. When the alkoxyimino moiety was substituted with a methyl, ethyl, isopropyl or allyl group, good antiviral activity was obtained. Among the geometrical isomers at the oxime moiety, the E-isomers were more active than the Z-isomers. Among the compounds examined, (E)-2-allyloxyimino-2-cyano-N-(5-tert-butyl-2-iosaxazolin-3-ylmethyl)acetamide (1j) was the most active inhibitor with an EC50 of 3 mug/mL in vitro. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00362-6
• 作为产物：
  描述：

  ethyl 5,5-dimethyl-4,5-dihydroisoxazole-3-carboxylate 在 sodium tetrahydroborate 、 氯化亚砜 、 乙醇 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 3-(chloromethyl)-5,5-dimethyl-4,5-dihydroisoxazole
  参考文献：
  名称：

  [EN] THERAPEUTIC COMPOUNDS
  [FR] COMPOSÉS THÉRAPEUTIQUES

  摘要：

  本发明涉及一类能激活Nrf2的化合物。这些化合物具有本文中定义的结构式I。本发明还涉及制备这些化合物的方法，包括含有它们的药物组合物，以及它们在治疗与Nrf2激活相关的疾病或疾病中的应用。

  公开号：

  WO2020084300A1

文献信息

• THERAPEUTIC COMPOUNDS
  申请人：C4X Discovery Limited

  公开号：US20220002286A1

  公开（公告）日：2022-01-06

  The present invention relates to compounds that are Nrf2 activators. The compounds have the structural formula I defined herein. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of diseases or disorders associated with Nrf2 activation.