4-乙基-5-甲基-异恶唑-3-胺 | 177266-03-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 中文名称: 4-乙基-5-甲基-异恶唑-3-胺
• 英文名称: 4-Ethyl-5-methyl-isoxazol-3-ylamine
• 英文别名: 4-Ethyl-5-methylisoxazol-3-amine；4-ethyl-5-methyl-1,2-oxazol-3-amine
• CAS: 177266-03-4
• 化学式: C₆H₁₀N₂O
• 分子量: 126.158
• InChiKey: WQQYOZLMXIHKRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-乙基-5-甲基-异恶唑-3-胺 在 吡啶 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 4-Amino-N-(4-ethyl-5-methyl-isoxazol-3-yl)-benzenesulfonamide
  参考文献：
  名称：

  Discovery and synthesis of a potent sulfonamide ETB selective antagonist

  摘要：

  The synthesis and structure activity relationships of a series of sulfonamide endothelin antagonists are described. In the course of our modification studies, we discovered ETB selective antagonists. The most potent compound 15f displays IC50 values of 1.7 mu M and 0.002 mu M to ETA and ETB receptors, respectively. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00366-8
• 作为产物：
  描述：

  (4-Ethyl-5-methyl-isoxazol-3-yl)-carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 生成 4-乙基-5-甲基-异恶唑-3-胺
  参考文献：
  名称：

  Discovery and synthesis of a potent sulfonamide ETB selective antagonist

  摘要：

  The synthesis and structure activity relationships of a series of sulfonamide endothelin antagonists are described. In the course of our modification studies, we discovered ETB selective antagonists. The most potent compound 15f displays IC50 values of 1.7 mu M and 0.002 mu M to ETA and ETB receptors, respectively. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00366-8

文献信息

• Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors
  申请人：Gupta Ramesh Chandra

  公开号：US20100010035A1

  公开（公告）日：2010-01-14

  The present invention relates to new compounds of the formula [Chemical formula should be inserted here. Please see paper copy] wherein R1, R2, R3, and R31 are as specified herein. The invention also relates to a method for preparation thereof, as well as combinations of the new compounds with previously known agents. The invention also relates to the use of the above-mentioned compounds and combinations for the preparation of a medicament for treating hypertension of different kinds, alleviating organ damage of different kinds, treating or preventing diabetic nephropathy, treating endothelin and angiotensin mediated disorders, and treating prostate cancer.

  本发明涉及一种新的化合物，其化学式为[应在此处插入化学式。请参见纸质副本]，其中R1、R2、R3和R31如本文所述。本发明还涉及一种制备该化合物的方法，以及新化合物与先前已知药剂的组合。本发明还涉及上述化合物和组合物的用途，用于制备治疗不同类型的高血压、缓解不同类型的器官损伤、治疗或预防糖尿病肾病、治疗内皮素和血管紧张素介导的疾病以及治疗前列腺癌的药物。
• CONDENSED TETRAHYDROQUINOLINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES
  申请人：Eda Masahiro

  公开号：US20100063055A1

  公开（公告）日：2010-03-11

  The problem of the present invention is to provide a compound having a GR selective binding activity, which shows less action on other nuclear receptors such as progesterone receptor (PR), mineralocorticoid receptor (MR) and the like. The present invention provides a condensed tetrahydroquinoline compound represented by the following formula (I) wherein each symbol is as defined in the present specification, or a pharmaceutically acceptable salt thereof or a hydrate thereof.

  本发明的问题是提供一种具有GR选择性结合活性的化合物，其对其他核受体（如孕激素受体（PR）、矿物质皮质激素受体（MR）等）的作用较小。本发明提供了一种紧凑的四氢喹啉化合物，其表示为以下式子（I），其中每个符号如本说明书中所定义，或其药学上可接受的盐或水合物。
• US8367695B2
  申请人：——

  公开号：US8367695B2

  公开（公告）日：2013-02-05
• Discovery and synthesis of a potent sulfonamide ETB selective antagonist
  作者：Yasuhiko Kanda、Tadashi Takahashi、Yoshitaka Araki、Toshiro Konoike、Shin-ichi Mihara、Masafumi Fujimoto

  DOI：10.1016/s0960-894x(00)00366-8

  日期：2000.8

  The synthesis and structure activity relationships of a series of sulfonamide endothelin antagonists are described. In the course of our modification studies, we discovered ETB selective antagonists. The most potent compound 15f displays IC50 values of 1.7 mu M and 0.002 mu M to ETA and ETB receptors, respectively. (C) 2000 Elsevier Science Ltd. All rights reserved.