RS-1-(isopropylamino)-3-(2-((5-methylisoxazol-3-yl)methoxy)phenoxy)propan-2-ol | 85089-70-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: RS-1-(isopropylamino)-3-(2-((5-methylisoxazol-3-yl)methoxy)phenoxy)propan-2-ol
• 英文别名: (isopropylamino)-3-(2-((5-methylisoxazol-3-yl)methoxy)phenoxy)propan-2-ol；1-[2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
• CAS: 85089-70-9
• 化学式: C₁₇H₂₄N₂O₄
• 分子量: 320.389
• InChiKey: YWMMEVGMBVZEFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  76.8
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-氯甲基-5-甲基异恶唑 在 sodium hydroxide 、 sodium 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 RS-1-(isopropylamino)-3-(2-((5-methylisoxazol-3-yl)methoxy)phenoxy)propan-2-ol
  参考文献：
  名称：

  2-(3-amino-2-hydroxypropoxy)phenoxymethyloxazoles as potential β- and α-adrenoblocking agents

  摘要：

  DOI：

  10.1007/bf00765080

文献信息

• TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF
  申请人：VEPACHEDU SREENIVASARAO

  公开号：US20200069674A1

  公开（公告）日：2020-03-05

  Compounds of Formula I, pharmaceutically acceptable salts thereof, enantiomers thereof, metabolites thereof, derivatives thereof, prodrugs thereof, acid addition salts thereof, pharmaceutically acceptable salts thereof, or N-oxides thereof; or a combination thereof; processes and intermediates for preparation thereof, compositions thereof, and uses thereof; are provided. Pharmaceutical compositions comprising a compound of Formula I, or enantiomers thereof, metabolites thereof, derivatives thereof, prodrugs thereof, acid addition salts thereof, pharmaceutically acceptable salts thereof, or N-oxides thereof; or a combination thereof; wherein the compound is a double and/or triple agent or ligand for CYP2D6, 5-HT2A, and/or 5HT2C receptors, and/or acetylcholinesterase are provided.
• 2-(3-amino-2-hydroxypropoxy)phenoxymethyloxazoles as potential β- and α-adrenoblocking agents
  作者：S. D. Sokolov、S. M. Vinogradova、M. V. Berg、M. D. Mashkovskii、S. D. Yuzhakov、V. N. Ermakova

  DOI：10.1007/bf00765080

  日期：1984.1