5-(2-羟基-乙基)-咪唑烷-2,4-二酮 | 13602-41-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 5-(2-羟基-乙基)-咪唑烷-2,4-二酮
• 中文别名: 2,4-咪唑烷二酮,5-(2-羟基乙基)-
• 英文名称: 5-hydroxyethyl hydantoin
• 英文别名: 5-(β-Hydroxy-ethyl)-hydantoin；5-(2-hydroxy-ethyl)-imidazolidine-2,4-dione；5-(2-Hydroxy-aethyl)-imidazolidin-2,4-dion；5-(2-hydroxyethyl)imidazolidine-2,4-dione
• CAS: 13602-41-0
• 化学式: C₅H₈N₂O₃
• mdl: MFCD19219049
• 分子量: 144.13
• InChiKey: BVERFRYWSPRASF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  78.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(2-羟基-乙基)-咪唑烷-2,4-二酮 在 氢溴酸 作用下， 生成 5-(2-溴乙基)海因
  参考文献：
  名称：

  Substitution of the phosphonic acid and hydroxamic acid functionalities of the DXR inhibitor FR900098: An attempt to improve the activity against Mycobacterium tuberculosis

  摘要：

  Two series of FR900098/fosmidomycin analogs were synthesized and evaluated for MtDXR inhibition and Mycobacterium tuberculosis whole-cell activity. The design rationale of these compounds involved the exchange of either the phosphonic acid or the hydroxamic acid part for alternative acidic and metal-coordinating functionalities. The best inhibitors provided IC(50) values in the micromolar range, with a best value of 41 mu M. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.005
• 作为产物：
  描述：

  (2-氧代四氢呋喃-3-基)脲 在 盐酸 作用下， 生成 5-(2-羟基-乙基)-咪唑烷-2,4-二酮
  参考文献：
  名称：

  Sudo, Nippon Kagaku Zasshi, 1959, vol. 80, p. 924,933

  摘要：

  DOI：

文献信息

• 制备氯代海因衍生物的方法
  申请人：利尔化学股份有限公司

  公开号：CN112679437B

  公开（公告）日：2023-04-28
• Substitution of the phosphonic acid and hydroxamic acid functionalities of the DXR inhibitor FR900098: An attempt to improve the activity against Mycobacterium tuberculosis
  作者：Mounir Andaloussi、Martin Lindh、Christofer Björkelid、Surisetti Suresh、Anna Wieckowska、Harini Iyer、Anders Karlén、Mats Larhed

  DOI：10.1016/j.bmcl.2011.07.005

  日期：2011.9

  Two series of FR900098/fosmidomycin analogs were synthesized and evaluated for MtDXR inhibition and Mycobacterium tuberculosis whole-cell activity. The design rationale of these compounds involved the exchange of either the phosphonic acid or the hydroxamic acid part for alternative acidic and metal-coordinating functionalities. The best inhibitors provided IC(50) values in the micromolar range, with a best value of 41 mu M. (C) 2011 Elsevier Ltd. All rights reserved.
• Sudo, Nippon Kagaku Zasshi, 1959, vol. 80, p. 924,933
  作者：Sudo

  DOI：——

  日期：——