2(R,S)-methylselenazolidine-4(R)-carboxylic acid | 403642-93-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2(R,S)-methylselenazolidine-4(R)-carboxylic acid
• 英文别名: 2-methyl-selenazolidine-4(R)-carboxylic acid；2-methylselenazolidine-4(R)-carboxylic acid；4-Selenazolidinecarboxylic acid, 2-methyl-, (4R)-；(4R)-2-methyl-1,3-selenazolidine-4-carboxylic acid
• CAS: 403642-93-3
• 化学式: C₅H₉NO₂Se
• 分子量: 194.092
• InChiKey: KCVNTQONCDLQMZ-BKLSDQPFSA-N

物化性质

• 沸点：
  329.2±42.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.49
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  硒代-L-半胱氨酸 、 乙醛 以 乙醇 、 水 为溶剂， 反应 3.0h， 以0.09 g的产率得到2(R,S)-methylselenazolidine-4(R)-carboxylic acid
  参考文献：
  名称：

  Selenazolidines as Novel Organoselenium Delivery Agents

  摘要：

  Two new classes of selenazolidine-4(R)-carboxylic acids (2-oxo and 2-methyl-SCAs) were synthesized and characterized. Both were designed as latent forms of selenocysteine, intended to provide a chemically superior delivery form for selenium. The prodrugs may be clinically useful when selenium supplementation at supranutritional levels is indicated, such as in cancer chemoprevention. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00590-x

文献信息

• Prodrugs and conjugates of thiol- and selenol-containing compounds and methods of use thereof
  申请人：Franklin R. Michael

  公开号：US20050267172A1

  公开（公告）日：2005-12-01

  Disclosed are compounds having the formula wherein R 1 is hydrogen, an alkyl group, an aryl group, a cycloalkyl group, an alkenyl group, an alkynyl group, an aralkyl group, or ═O, R 2 is an alkyl group, an aryl group, a cycloalkyl group, an alkenyl group, an alkynyl group, or an aralkyl group, or the pharmaceutically acceptable salt or ester thereof. Also disclosed are methods of using the compounds.

  本发明涉及化合物，其具有以下式子：其中，R1为氢、烷基、芳基、环烷基、烯基、炔基、芳基烷基或═O；R2为烷基、芳基、环烷基、烯基、炔基或芳基烷基，或其药学上可接受的盐或酯。本发明还涉及使用这些化合物的方法。
• Selenazolidines as Novel Organoselenium Delivery Agents
  作者：Yang Xie、Megan D. Short、Pamela B. Cassidy、Jeanette C. Roberts

  DOI：10.1016/s0960-894x(01)00590-x

  日期：2001.11

  Two new classes of selenazolidine-4(R)-carboxylic acids (2-oxo and 2-methyl-SCAs) were synthesized and characterized. Both were designed as latent forms of selenocysteine, intended to provide a chemically superior delivery form for selenium. The prodrugs may be clinically useful when selenium supplementation at supranutritional levels is indicated, such as in cancer chemoprevention. (C) 2001 Elsevier Science Ltd. All rights reserved.