5-[2-[[4-[4-[[4-[4-[1-[[(2S,3S,6R)-3-hydroxy-2-methyl-6-[[(3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyloxy]ethyl]-2-methoxy-5-nitrophenoxy]butanoylamino]methyl]triazol-1-yl]benzoyl]amino]ethylamino]naphthalene-1-sulfonic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 蒽环类药物
• 英文名称: 5-[2-[[4-[4-[[4-[4-[1-[[(2S,3S,6R)-3-hydroxy-2-methyl-6-[[(3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]carbamoyloxy]ethyl]-2-methoxy-5-nitrophenoxy]butanoylamino]methyl]triazol-1-yl]benzoyl]amino]ethylamino]naphthalene-1-sulfonic acid
• 化学式: C63H64N8O22S
• 分子量: 1317.3
• InChiKey: SBRAVCBVDXOIPG-ZXCBIZEXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  94
• 可旋转键数：
  24
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  446
• 氢给体数：
  10
• 氢受体数：
  25

文献信息

• LIGHT-ENABLED DRUG DELIVERY
  申请人：Virginia Commonwealth University

  公开号：US20140236071A1

  公开（公告）日：2014-08-21

  Conjugates are provided which comprise a membrane permeable drug linked to a moiety that is not membrane permeable. Attachment of the moiety that is not membrane permeable prevents the drug from crossing cell membranes and entering cells. However, exposure to light either i) breaks the linkage, releasing the drug and allowing it to enter cells; or ii) converts the non-membrane permeable moiety to a membrane permeable form, allowing the entire conjugate to enter the cell, where the drug is released from the conjugate by cleavage. The membrane permeable drugs are thus delivered to cells at locations of interest, e.g. cancer cells in a tumor, in a temporally and spatially controlled manner.

  提供了一种缀合物，该缀合物包括与一个不可透过细胞膜的基团相连的可透过细胞膜的药物。不可透过细胞膜的基团的附着阻止了药物穿过细胞膜并进入细胞。然而，光照要么i）断裂这种连接，释放药物并允许其进入细胞；要么ii）将不可透过细胞膜的基团转化为可透过细胞膜的形式，允许整个缀合物进入细胞，在细胞中药物通过裂解从缀合物中释放。因此，可透过细胞膜的药物以时间和空间可控的方式被递送到感兴趣的位置，例如肿瘤中的癌细胞。
• US9364551B2
  申请人：——

  公开号：US9364551B2

  公开（公告）日：2016-06-14