(1R,2R)-1-amino-6-bromo-2,3-dihydro-1H-inden-2-ol

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: (1R,2R)-1-amino-6-bromo-2,3-dihydro-1H-inden-2-ol
• 英文别名: rel-(1R,2R)-1-Amino-6-bromo-2,3-dihydro-1H-inden-2-ol
• 化学式: C₉H₁₀BrNO
• 分子量: 228.088
• InChiKey: BCTITPKCHCGPPC-RKDXNWHRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (R)-4-((R,E)-2-((tert-butoxycarbonyl)imino)-4-ethyl-6-oxo-4-(pent-4-en-1-yl)tetrahydropyrimidin-1(2H)-yl)chromane-6-carboxylic acid 、 (1R,2R)-1-amino-6-bromo-2,3-dihydro-1H-inden-2-ol 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 tert-butyl ((R,E)-1-((R)-6-(((1R,2R)-6-bromo-2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl)chroman-4-yl)-4-ethyl-6-oxo-4-(pent-4-en-1-yl)tetrahydropyrimidin-2(1H)-ylidene)carbamate
  参考文献：
  名称：

  [EN] ANTIMALARIAL AGENTS
  [FR] AGENTS ANTIPALUDIQUES

  摘要：

  Provided are methods of treating malaria comprising administration of compounds of Formula (I), or a pharmaceutically acceptable salt thereof, to a subject in need thereof, wherein the variables are as defined herein. Also provided are uses of the compounds of Formula (I), as defined herein, for inhibiting plasmepsin X, plasmepsin IX or plasmepsin X and IX activity, for treating a Plasmodium infection, and for treating malaria. Also provided are methods of treatment further comprising administration of one or more additional anti-malarial compounds.

  公开号：

  WO2023102747A1
• 作为产物：
  描述：

  (1R,2R)-1-氨基-2-茚满醇 在 N-溴代丁二酰亚胺(NBS) 、 三氟甲磺酸 作用下， 以 二氯甲烷 为溶剂， 生成 (1R,2R)-1-amino-6-bromo-2,3-dihydro-1H-inden-2-ol
  参考文献：
  名称：

  [EN] ANTIMALARIAL AGENTS
  [FR] AGENTS ANTIPALUDIQUES

  摘要：

  Provided are methods of treating malaria comprising administration of compounds of Formula (I), or a pharmaceutically acceptable salt thereof, to a subject in need thereof, wherein the variables are as defined herein. Also provided are uses of the compounds of Formula (I), as defined herein, for inhibiting plasmepsin X, plasmepsin IX or plasmepsin X and IX activity, for treating a Plasmodium infection, and for treating malaria. Also provided are methods of treatment further comprising administration of one or more additional anti-malarial compounds.

  公开号：

  WO2023102747A1

文献信息

• [EN] ANTIMALARIAL AGENTS<br/>[FR] AGENTS ANTIPALUDIQUES
  申请人：[en]MERCK SHARP & DOHME LLC

  公开号：WO2023102747A1

  公开（公告）日：2023-06-15

  Provided are methods of treating malaria comprising administration of compounds of Formula (I), or a pharmaceutically acceptable salt thereof, to a subject in need thereof, wherein the variables are as defined herein. Also provided are uses of the compounds of Formula (I), as defined herein, for inhibiting plasmepsin X, plasmepsin IX or plasmepsin X and IX activity, for treating a Plasmodium infection, and for treating malaria. Also provided are methods of treatment further comprising administration of one or more additional anti-malarial compounds.