N-methyl-(3-isopropylisoxazol-5-yl)methylamine | 942519-65-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-methyl-(3-isopropylisoxazol-5-yl)methylamine
• 英文别名: [(3-Isopropylisoxazol-5-yl)methyl]methylamine；N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine
• CAS: 942519-65-5
• 化学式: C₈H₁₄N₂O
• mdl: MFCD11215352
• 分子量: 154.212
• InChiKey: BYGUSSATSGHWCD-UHFFFAOYSA-N

物化性质

• 沸点：
  102-103 °C(Press: 3 Torr)
• 密度：
  0.9685 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.625
• 拓扑面积：
  38.1
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  N-methyl-(3-isopropylisoxazol-5-yl)methylamine 、 1-(isocyanatomethyl)adamantane 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以83%的产率得到1-(adamant-1-ylmethyl)-3-[(3-isopropylisoxazol-5-yl)methyl]-3-methylurea
  参考文献：
  名称：

  1,3-Disubstituted and 1,3,3-trisubstituted adamantyl-ureas with isoxazole as soluble epoxide hydrolase inhibitors

  摘要：

  Adamantyl ureas are good soluble epoxide hydrolase (sEH) inhibitors; however they have limited solubility and rapid metabolism, thus limiting their usefulness in some therapeutic indications. Herein, we test the hypothesis that nodal substitution on the adamantane will help solubilize and stabilize the compounds. A series of compounds containing adamantane derivatives and isoxazole functional groups were developed. Overall, the presence of methyl on the nodal positions of adamantane yields higher water solubility than previously reported urea-based sEH inhibitors while maintaining high inhibition potency. However, it did not improve microsomal stability. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.10.066

文献信息

• SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS
  申请人：GRUNDL Marc

  公开号：US20100261687A1

  公开（公告）日：2010-10-14

  Object of the present invention are novel substituted compounds of the formula 1, wherein A, R 1 , R 2 , R 3 and R 4 are defined as in the description. Another object of the present invention is to provide antagonists of CCR3, more particularly to provide pharmaceutical compositions comprising a pharmaceutically acceptable carrier and a therapeutically effective amount of at least one of the compounds of the present invention or a pharmaceutically acceptable salt thereof.

  本发明的对象是公式1的新型取代化合物，其中A、R1、R2、R3和R4的定义如描述中所述。本发明的另一个对象是提供CCR3的拮抗剂，更具体地提供包含药用可接受载体和本发明化合物中至少一种或其药用可接受盐的治疗有效量的药物组合物。
• Therapeutic methods employing substituted piperidines which are CCR3 antagonists
  申请人：GRUNDL Marc

  公开号：US20130023517A1

  公开（公告）日：2013-01-24

  Object of the present invention are novel substituted compounds of the formula 1, wherein A, R 1 , R 2 , R 3 and R 4 are defined as in the description. Another object of the present invention is to provide antagonists of CCR3, more particularly to provide pharmaceutical compositions comprising a pharmaceutically acceptable carrier and a therapeutically effective amount of at least one of the compounds of the present invention or a pharmaceutically acceptable salt thereof.

  本发明的目的是提供公式1的新型取代化合物，其中A、R1、R2、R3和R4的定义如描述中所述。本发明的另一个目的是提供CCR3的拮抗剂，更具体地提供包含药学上可接受的载体和本发明化合物中至少一种或其药学上可接受的盐的治疗有效量的制药组合物。
• Synthesis and Study of 1,3- and 1,3,3-Substituted Ureas Containing Isoxazole and Adamantane Fragments
  作者：G. M. Butov、V. V. Burmistrov、I. L. Dalinger、I. A. Vatsadze、T. K. Shkineva、D. V. Danilov

  DOI：10.1007/s10593-015-1643-3

  日期：2015.3

  A series of 1,3-disubstituted and 1,3,3-trisubstituted isoxazolyl- and adamantyl-functionalized ureas was synthesized. The resulting compounds are potent inhibitors of soluble epoxide hydrolase. The compounds were obtained in high yields under mild conditions. Water solubility of the synthesized ureas was found to exceed significantly that of known analogs.
• USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI
  申请人：BASF SE

  公开号：EP3151669B1

  公开（公告）日：2020-10-28
• EP3756464A1
  申请人：——

  公开号：EP3756464A1

  公开（公告）日：2020-12-30