2(S)-benzyloxycarbonylamino-3-[2(R,S)-(4-isobutyl-phenyl)-propionyloxy]-butyric acid benzyl ester | 852055-78-8

• 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(S)-benzyloxycarbonylamino-3-[2(R,S)-(4-isobutyl-phenyl)-propionyloxy]-butyric acid benzyl ester
• 英文别名: benzyl (2S,3R)-3-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]-2-(phenylmethoxycarbonylamino)butanoate
• CAS: 852055-78-8
• 化学式: C₃₂H₃₇NO₆
• 分子量: 531.649
• InChiKey: DNHIWOVBOYMALT-ZIGVQRCJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  39
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  90.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  布洛芬 、 Cbz-L-苏氨酸苄酯 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 19.0h， 以95.3%的产率得到2(S)-benzyloxycarbonylamino-3-[2(R,S)-(4-isobutyl-phenyl)-propionyloxy]-butyric acid benzyl ester
  参考文献：
  名称：

  [EN] AMINO ACID PRODRUGS
  [FR] PRODROGUES A BASE D'ACIDES AMINES

  摘要：

  公开号：

  WO2005046575A3

文献信息

• L-THREONINE DERIVATIVES OF HIGH THERAPEUTIC INDEX
  申请人：Chandran V. Ravi

  公开号：US20100004481A1

  公开（公告）日：2010-01-07

  The present invention is directed to a derivative comprised of an L-Threonine bonded to a medicament or drug having a hydroxy, amino, carboxy or acylating derivative thereon. The derivative has the same utility as the drug from which it is made, but it has enhanced therapeutic properties. In fact, the derivatives of the present invention enhance at least one or more therapeutic qualities, as defined herein. The present invention is also directed to pharmaceutical compositions containing same.

  本发明涉及一种衍生物，其由L-苏氨酸与具有羟基、氨基、羧基或酰化衍生物的药物或药物结合而成。该衍生物具有与其制成的药物相同的功效，但具有增强的治疗性能。实际上，本发明的衍生物增强了至少一种或多种治疗特性，如本文所定义。本发明还涉及含有该衍生物的制药组合物。
• NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX
  申请人：Chandran V. Ravi

  公开号：US20120289471A1

  公开（公告）日：2012-11-15

  The present invention is directed to novel therapeutic compounds comprised of an amino acid bonded to a medicament or drug having a hydroxy, amino, carboxy or acylating derivative thereon. These high therapeutic index derivatives have the same utility as the drug from which they are made, and they have enhanced pharmacological and pharmaceutical properties. In fact, the novel drug derivatives of the present invention enhance at least one therapeutic quality, as defined herein. The present invention is also directed to pharmaceutical compositions containing same.

  本发明涉及一种新型治疗化合物，其由氨基酸与具有羟基、氨基、羧基或酰化衍生物的药物或药品结合而成。这些高治疗指数的衍生物具有与其制备的药物相同的实用性，并具有增强的药理和制药性能。事实上，本发明的新型药物衍生物至少增强了一种治疗品质，如本文所定义。本发明还涉及含有同样化合物的制药组合物。
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