(2R,3R,4R)-3-Chloro-5-guanidino-4-hydroxy-2-[4-hydroxy-3-(3-isopropenyl-quinolin-4-yl)-benzoylamino]-pentanoic acid | 741731-30-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (2R,3R,4R)-3-Chloro-5-guanidino-4-hydroxy-2-[4-hydroxy-3-(3-isopropenyl-quinolin-4-yl)-benzoylamino]-pentanoic acid
• 英文别名: (2R,3R,4R)-3-chloro-5-(diaminomethylideneamino)-4-hydroxy-2-[[4-hydroxy-3-(3-prop-1-en-2-ylquinolin-4-yl)benzoyl]amino]pentanoic acid
• CAS: 741731-30-6
• 化学式: C₂₅H₂₆ClN₅O₅
• 分子量: 511.965
• InChiKey: UVJDKRRAPPLIMC-HJNYFJLDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  184
• 氢给体数：
  6
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (2R,3R,4R)-3-Chloro-5-guanidino-4-hydroxy-2-[4-hydroxy-3-(3-isopropenyl-quinolin-4-yl)-benzoylamino]-pentanoic acid 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 48.0h， 生成 4-Hydroxy-3-(3-isopropenyl-quinolin-4-yl)-benzoic acid
  参考文献：
  名称：

  Design and Synthesis of a Solid-Supported FR225659 Derivative for Its Receptor Screening

  摘要：

  We describe the design and synthesis of latex particles attached to an FR225659 derivative to identify its receptor proteins. Two key building blocks were prepared by two-step degradation of FR225659 under basic conditions. The designed ligand showed an acceptable level of biological activity to make it of potential value for use in affinity-supported receptor identification. Affinity purification of FR225659-binding proteins using the latex nanoparticles provided three candidate receptor peptides for the biological activity.

  DOI：

  10.1021/ol049100q
• 作为产物：
  描述：

  FR225659 在 sodium hydroxide 作用下， 反应 48.0h， 以81%的产率得到2-[((2S,3R)-3-Hydroxy-3-methyl-pyrrolidine-2-carbonyl)-amino]-3-methyl-but-2-enoic acid
  参考文献：
  名称：

  Design and Synthesis of a Solid-Supported FR225659 Derivative for Its Receptor Screening

  摘要：

  We describe the design and synthesis of latex particles attached to an FR225659 derivative to identify its receptor proteins. Two key building blocks were prepared by two-step degradation of FR225659 under basic conditions. The designed ligand showed an acceptable level of biological activity to make it of potential value for use in affinity-supported receptor identification. Affinity purification of FR225659-binding proteins using the latex nanoparticles provided three candidate receptor peptides for the biological activity.

  DOI：

  10.1021/ol049100q