N-(6-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoyl)-L-valyl-N-[4-({[(4-{[(3R,5S,7R,8R)-7-{(1E,3E)-5-[(2S,3S,5R,6R)-5-{[(2Z,4S)-4-(acetyloxy)pent-2-enoyl]amino}-3,6-dimethyltetrahydro-2H-pyran-2-yl]-3-methylpenta-1,3-dien-1-yl}-8-hydroxy-1,6-dioxaspiro[2.5]oct-5-yl]acetyl}piperazin-1-yl)carbonyl]oxy}methyl)phenyl]-N-5-carbamoyl-L-ornithinamide | 1609107-92-7

• 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: N-(6-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoyl)-L-valyl-N-[4-({[(4-{[(3R,5S,7R,8R)-7-{(1E,3E)-5-[(2S,3S,5R,6R)-5-{[(2Z,4S)-4-(acetyloxy)pent-2-enoyl]amino}-3,6-dimethyltetrahydro-2H-pyran-2-yl]-3-methylpenta-1,3-dien-1-yl}-8-hydroxy-1,6-dioxaspiro[2.5]oct-5-yl]acetyl}piperazin-1-yl)carbonyl]oxy}methyl)phenyl]-N-5-carbamoyl-L-ornithinamide
• 英文别名: [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl 4-[2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetyl]piperazine-1-carboxylate
• CAS: 1609107-92-7
• 化学式: C₇₂H₉₇N₉O₁₆
• 分子量: 1344.61
• InChiKey: LAJPBBDJEVYJLW-XJUDUTAXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  97
• 可旋转键数：
  33
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  337
• 氢给体数：
  8
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  (2S,3Z)-5-{[(2R,3R,5S,6S)-6-{(2E,4E)-5-[(3R,4R,5R,7S)-7-{2-[(2,5-dioxopyrrolidin-1-yl)oxy]-2-oxoethyl}-4-hydroxy-1,6-dioxaspiro[2.5]oct-5-yl]-3-methylpenta-2,4-dien-1-yl}-2,5-dimethyltetrahydro-2H-pyran-3-yl]amino}-5-oxopent-3-en-2-yl acetate 、 N-(6-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoyl)-L-valyl-N-5-carbamoyl-N-(4-{[(piperazin-1-ylcarbonyl)oxy]methyl}phenyl)-L-ornithinamide 在 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 以55%的产率得到N-(6-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoyl)-L-valyl-N-[4-({[(4-{[(3R,5S,7R,8R)-7-{(1E,3E)-5-[(2S,3S,5R,6R)-5-{[(2Z,4S)-4-(acetyloxy)pent-2-enoyl]amino}-3,6-dimethyltetrahydro-2H-pyran-2-yl]-3-methylpenta-1,3-dien-1-yl}-8-hydroxy-1,6-dioxaspiro[2.5]oct-5-yl]acetyl}piperazin-1-yl)carbonyl]oxy}methyl)phenyl]-N-5-carbamoyl-L-ornithinamide
  参考文献：
  名称：

  [EN] SPLICEOSTATIN ANALOGS
  [FR] ANALOGUES DE SPLICÉOSTATINE

  摘要：

  本发明涉及新型细胞毒性剪接抑制素类似物（I）及其衍生物，涉及其抗体药物结合物，以及使用它们治疗包括癌症在内的医疗状况的方法。

  公开号：

  WO2014068443A1

文献信息

• SPLICEOSTATIN ANALOGS AND METHODS FOR THEIR PREPARATION
  申请人：PFIZER INC.

  公开号：US20140134193A1

  公开（公告）日：2014-05-15

  The present invention is directed to novel cytotoxic spliceostatin analogs and derivatives, to antibody drug conjugates thereof, and to methods for using the same to treat medical conditions including cancer.

  本发明涉及新型细胞毒性剪接素类似物和衍生物，其抗体药物偶联物，以及使用它们治疗包括癌症在内的医学状况的方法。
• SPLICEOSTATIN ANALOGS AND METHOS FOR THEIR PREPARATION
  申请人：PFIZER INC.

  公开号：US20170014523A1

  公开（公告）日：2017-01-19

  The present invention is directed to novel cytotoxic spliceostatin analogs and derivatives, to antibody drug conjugates thereof, and to methods for using the same to treat medical conditions including cancer.
• US9169264B2
  申请人：——

  公开号：US9169264B2

  公开（公告）日：2015-10-27
• US9504669B2
  申请人：——

  公开号：US9504669B2

  公开（公告）日：2016-11-29