(I+/-S)-4-Iodo-I+/--methylbenzenepropanoic acid | 189287-75-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: (I+/-S)-4-Iodo-I+/--methylbenzenepropanoic acid
• 英文别名: (2S)-3-(4-iodophenyl)-2-methylpropanoic acid
• CAS: 189287-75-0
• 化学式: C₁₀H₁₁IO₂
• 分子量: 290.1
• InChiKey: JVPXVKGYRNMGHM-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• METHOD FOR PREPARING L-BPA
  申请人：NEUBORON MEDTECH LTD.

  公开号：US20180155368A1

  公开（公告）日：2018-06-07

  Provided is a method for preparing L-BPA, which includes steps of: reacting N-protected (S)-4-halophenylalanine of Formula I, a boronating agent, Grignard reagent and bis(2-methylaminoethyl)ether to obtain a reaction mixture, wherein the reaction mixture comprises N-protected (S)-4-boronophenylalanine of Formula II and the R 2 group represents a protecting group; isolating the N-protected (S)-4-boronophenylalanine from the reaction mixture; and deprotecting the R 2 group of the N-protected (S)-4-boronophenylalanine to obtain L-BPA, wherein the L-BPA has a structure of Formula III.

  提供了一种制备L-BPA的方法，包括以下步骤：将式I中的N-保护的(S)-4-卤苯丙氨酸、硼化试剂、格氏试剂和双(2-甲基氨基乙基)醚反应，得到反应混合物，其中反应混合物包括式II中的N-保护的(S)-4-硼苯丙氨酸，R2基团代表保护基； 从反应混合物中分离出N-保护的(S)-4-硼苯丙氨酸；去保护N-保护的(S)-4-硼苯丙氨酸的R2基团，得到L-BPA，其中L-BPA具有式III的结构。
• IAP BIR DOMAIN BINDING COMPOUNDS
  申请人：Laurent Alain

  公开号：US20120141496A1

  公开（公告）日：2012-06-07

  The present invention, according to several embodiments, comprises a compound represented by Formula I: in which the substituents BG, B, B 1 , R 1 , R 100 , R 2 , R 200 , A, A 1 , Q and Q 1 are defined herein; or a prodrug, or a salt thereof, and which bind to IAP BIR domains. In particular, the compounds of certain embodiments are useful in treating proliferative disorders such as cancer.