(R)-2-{[6-(4-Benzoyl-benzoylamino)-hexanoyl]-methyl-amino}-4-methyl-pentanoic acid | 467427-95-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (R)-2-{[6-(4-Benzoyl-benzoylamino)-hexanoyl]-methyl-amino}-4-methyl-pentanoic acid
• CAS: 467427-95-8
• 化学式: C₂₇H₃₄N₂O₅
• 分子量: 466.577
• InChiKey: QRPITPLZJFVTOR-HSZRJFAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.17
• 重原子数：
  34.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  103.78
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  cyclo--5-methylheptanoyl>oxy-3-oxo-2,5-dimethylhexanoyl>-L-leucyl>-L-prolyl-N,O-dimethyl-L-tyrosyl>-L-threonyl> hydrochloride 、 (R)-2-{[6-(4-Benzoyl-benzoylamino)-hexanoyl]-methyl-amino}-4-methyl-pentanoic acid 在 N-甲基吗啉 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 生成 4-benzoyl-N-[6-[[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-6-oxohexyl]benzamide
  参考文献：
  名称：

  Synthesis and biological evaluation of didemnin photoaffinity analogues

  摘要：

  The synthesis of four benzophenone-containing analogues of the antiproliferative natural product didemnin B is presented. In vitro protein biosynthesis inhibition potency and antitumor activity were evaluated. The results indicate that all four analogues are biologically active and could serve as photoaffinity reagents for the study of receptor-binding interactions of didemnins. These analogues could also be useful in studying antitumor effects of didemnins. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00339-0
• 作为产物：
  描述：

  methyl (2R)-2-methylamino-4-methylpentanoate hydrochloride 在 N-甲基吗啉 、 lithium hydroxide 、 双(2-氧代-3-恶唑烷基)次磷酰氯 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 (R)-2-{[6-(4-Benzoyl-benzoylamino)-hexanoyl]-methyl-amino}-4-methyl-pentanoic acid
  参考文献：
  名称：

  Synthesis and biological evaluation of didemnin photoaffinity analogues

  摘要：

  The synthesis of four benzophenone-containing analogues of the antiproliferative natural product didemnin B is presented. In vitro protein biosynthesis inhibition potency and antitumor activity were evaluated. The results indicate that all four analogues are biologically active and could serve as photoaffinity reagents for the study of receptor-binding interactions of didemnins. These analogues could also be useful in studying antitumor effects of didemnins. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00339-0