(2S)-2-amino-3-[[(5S,6S)-6-[(3S,5S,6S)-6-[(3S,5S,6S)-6-[(3S,5S,6R)-2-[[(2S)-2-amino-2-carboxyethyl]sulfanylmethyl]-6-[(3S,5S,6R)-6-[(3S,5S,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methylsulfanyl]propanoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S)-2-amino-3-[[(5S,6S)-6-[(3S,5S,6S)-6-[(3S,5S,6S)-6-[(3S,5S,6R)-2-[[(2S)-2-amino-2-carboxyethyl]sulfanylmethyl]-6-[(3S,5S,6R)-6-[(3S,5S,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methylsulfanyl]propanoic acid
• 化学式: C₄₈H₈₂N₂O₃₇S₂
• 分子量: 1343.3
• InChiKey: JRHNVLFMYUMSLW-HUSDSTFBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -20
• 重原子数：
  89
• 可旋转键数：
  27
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  702
• 氢给体数：
  24
• 氢受体数：
  41

文献信息

• TREATMENT OF CANCER
  申请人：Ryan John

  公开号：US20140205594A1

  公开（公告）日：2014-07-24

  Provided are methods relating to compositions that include a CDP-topoisomerase inhibitor, e.g., a CDP-camptothecin or camptothecin derivative conjugate, e.g., CRLX101.

  提供了与包含CDP-拓扑异构酶抑制剂有关的方法，例如CDP-喜树碱或喜树碱衍生物结合物，例如CRLX101。