RA-III | 70840-66-3

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: RA-III
• 英文别名: (1S,4R,7S,10S,13S,16S)-7-(hydroxymethyl)-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
• CAS: 70840-66-3
• 化学式: C₄₁H₅₀N₆O₁₀
• 分子量: 786.882
• InChiKey: WASXNYRXXQONPG-YQPHQQCRSA-N

物化性质

• 沸点：
  1116.3±65.0 °C(Predicted)
• 密度：
  1.191±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  57
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  196
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  RA-III 在 ammonium hydroxide 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 吡啶 为溶剂， 反应 108.0h， 生成
  参考文献：
  名称：

  RA-III内酯，RA的19元环类似物，抗肿瘤环六肽

  摘要：

  抗肿瘤环六肽RA-III（2）已转化为内酯类似物3，它是RA的第一个类似物，其中18元大环被修饰。发现3具有良好的抗肿瘤活性，并通过NMR光谱确定其溶液构象。

  DOI：

  10.1016/s0040-4039(00)76793-1

文献信息

• Bouvardin derivatives and therapeutic uses thereof
  申请人：The Regents of the University of Colorado, a body corporate

  公开号：US10259846B2

  公开（公告）日：2019-04-16

  The present invention is directed at bouvardin analogs arid related compounds for the treatment of disorders including cancer. Provided herein are bouvardin analogs and related compounds, pharmaceutical compositions and kits comprising at least one bouvardin analog or related compound, and methods for treating disorders including cancer. In some aspects the compounds inhibit translation elongation at the ribosome. The compounds are used in combination with radiation therapy or with known chemotherapeutic compositions.

  本发明针对用于治疗包括癌症在内的疾病的毛花苷类似物和相关化合物。本发明提供了毛花苷类似物和相关化合物、包含至少一种毛花苷类似物或相关化合物的药物组合物和试剂盒，以及治疗包括癌症在内的疾病的方法。在某些方面，这些化合物可抑制核糖体的翻译延伸。这些化合物可与放射治疗或已知的化疗组合物结合使用。
• BOURVADIN DERIVATIVES AND THERAPEUTIC USES THEREOF
  申请人：SU Tin Tin

  公开号：US20150238562A1

  公开（公告）日：2015-08-27

  The present invention is directed at bouvardin analogs arid related compounds for the treatment of disorders including cancer. Provided herein are bouvardin analogs and related compounds, pharmaceutical compositions and kits comprising at least one bouvardin analog or related compound, and methods for treating disorders including cancer. In some aspects the compounds inhibit translation elongation at the ribosome. The compounds are used in combination with radiation therapy or with known chemotherapeutic compositions.
• BOUVARDIN DERIVATIVES AND THERAPEUTIC USES THEREOF
  申请人：The Regents of the University of Colorado, a body corporate

  公开号：US20170218025A1

  公开（公告）日：2017-08-03

  The present invention is directed at bouvardin analogs arid related compounds for the treatment of disorders including cancer. Provided herein are bouvardin analogs and related compounds, pharmaceutical compositions and kits comprising at least one bouvardin analog or related compound, and methods for treating disorders including cancer. In some aspects the compounds inhibit translation elongation at the ribosome. The compounds are used in combination with radiation therapy or with known chemotherapeutic compositions.
• US9452215B2
  申请人：——

  公开号：US9452215B2

  公开（公告）日：2016-09-27
• RA-III lactone, a 19-membered ring analogue of RAs, antitumor cyclic hexapeptide
  作者：Yukio Hitotsuyanagi、Kazuyuki Kondo、Koichi Takeya、Hideji Itokawa

  DOI：10.1016/s0040-4039(00)76793-1

  日期：1994.4

  Antitumor cyclic hexapeptide RA-III (2) has been converted to a lactone analogue 3 which is the first analogue of RAs in which the 18-membered macro ring was modified. 3 was found to possess promising antitumor activity, and its solution conformation was established by NMR spectroscopy.

  抗肿瘤环六肽RA-III（2）已转化为内酯类似物3，它是RA的第一个类似物，其中18元大环被修饰。发现3具有良好的抗肿瘤活性，并通过NMR光谱确定其溶液构象。