Alanine, N-orotoyl- | 16296-41-6

• 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: Alanine, N-orotoyl-
• 英文别名: 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid
• CAS: 16296-41-6
• 化学式: C₈H₉N₃O₅
• 分子量: 227.17
• InChiKey: CPNJTGUXQYSDQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  125
• 氢给体数：
  4
• 氢受体数：
  5

文献信息

• PREPARATIONS CONTAINING AMINO ACIDS AND OROTIC ACID
  申请人：MacDougall Joseph

  公开号：US20090156812A1

  公开（公告）日：2009-06-18

  The present invention describes compounds produced from an orotic acid molecule and an amino acid molecule. The compounds being in the form of amino acid orotate compounds bound by an amide linkage and produced by one of two disclosed methods; 1) reacting orotic acid or derivatives thereof with a thionyl halide, and then combining the acyl halide with an amino acid in the presence of dichloromethane and a DMAP catalyst; or 2) protecting the carboxylic acid of an amino acid and then combining the amino acid with a DCC activated orotic acid, followed by removal of the carboxylic acid protecting group. The resulting amino acid orotate amide has an enhanced stability in solution as compared to a related ester. In addition, specific benefits are conferred by the particular amino acid used to form the compounds in addition to, and separate from, the orotate substituent.

  本发明描述了从乳酸和氨基酸分子产生的化合物。这些化合物以氨基酸乳酸盐的形式存在，通过酰胺键结合，并通过两种方法之一制备：1）将乳酸或其衍生物与硫酰卤反应，然后在二氯甲烷和DMAP催化剂的存在下将酰卤与氨基酸结合；或2）保护氨基酸的羧基，然后将氨基酸与DCC活化的乳酸结合，随后去除羧基保护基团。与相关酯相比，所得的氨基酸乳酸酰胺在溶液中具有更高的稳定性。此外，特定的氨基酸用于形成这些化合物，除了乳酸取代基外，还赋予了特定的益处。
• US8236952B2
  申请人：——

  公开号：US8236952B2

  公开（公告）日：2012-08-07