1-adamantan-1-yl-3-((R)-1-hydroxymethyl-propyl)urea | 1442093-56-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 1-adamantan-1-yl-3-((R)-1-hydroxymethyl-propyl)urea
• 英文别名: 1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea
• CAS: 1442093-56-2
• 化学式: C₁₅H₂₆N₂O₂
• 分子量: 266.384
• InChiKey: WRHSAIBEWYUGIE-OEXLFXSVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  61.4
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-氨基丁醇 、 异氰酸1-金刚烷酯 以 二氯甲烷 为溶剂， 反应 2.17h， 以83%的产率得到1-adamantan-1-yl-3-((R)-1-hydroxymethyl-propyl)urea
  参考文献：
  名称：

  Efficient synthesis of new (R)-2-amino-1-butanol derived ureas, thioureas and acylthioureas and in vitro evaluation of their antimycobacterial activity

  摘要：

  The synthesis of 22 structurally diverse urea, thiourea and acylthiourea derivatives containing the (R)-2-amino-1-butanol motif has been performed. The evaluation of their in vitro activity against Mycobacterium tuberculosis (H(37)Rv and strain 43) showed promising results in the case of the acylthiourea derivatives (MIC range 0.36-7.46 mu M for H(37)Rv strain). (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.02.034

文献信息

• Efficient synthesis of new (R)-2-amino-1-butanol derived ureas, thioureas and acylthioureas and in vitro evaluation of their antimycobacterial activity
  作者：Georgi M. Dobrikov、Violeta Valcheva、Yana Nikolova、Iva Ugrinova、Evdokia Pasheva、Vladimir Dimitrov

  DOI：10.1016/j.ejmech.2013.02.034

  日期：2013.5

  The synthesis of 22 structurally diverse urea, thiourea and acylthiourea derivatives containing the (R)-2-amino-1-butanol motif has been performed. The evaluation of their in vitro activity against Mycobacterium tuberculosis (H(37)Rv and strain 43) showed promising results in the case of the acylthiourea derivatives (MIC range 0.36-7.46 mu M for H(37)Rv strain). (C) 2013 Elsevier Masson SAS. All rights reserved.