4-(3'-isopropoxy-propyl)amino-3-nitro-benzoic acid | 291528-36-4

• 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: 4-(3'-isopropoxy-propyl)amino-3-nitro-benzoic acid
• 英文别名: 4-[[3-(1-Methylethoxy)propyl]amino]-3-nitrobenzoic acid；3-nitro-4-(3-propan-2-yloxypropylamino)benzoic acid
• CAS: 291528-36-4
• 化学式: C₁₃H₁₈N₂O₅
• 分子量: 282.296
• InChiKey: MMTVASFPLXOJBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Compositions and methods for the transport of biologically active agents across cellular barriers
  申请人：——

  公开号：US20030161809A1

  公开（公告）日：2003-08-28

  Disclosed herein are complexes and compounds that pass through cellular barriers to deliver compounds into, through and out of cells, and methods of producing and using such complexes and compounds. The complexes and compounds of the invention comprise a biologically active portion and a targeting element directed to a ligand that confers transcellular, transcytotic or paracellular transporting properties to an agent specifically bound to the ligand, with the proviso that the targeting element is not an antibody. Also disclosed are complexes and compounds that comprise two or more targeting elements directed to a ligand that confers transcellular, transcytotic or paracellular transporting properties to an agent specifically bound to the ligand. Preferred ligands include but are not limited to the stalk of pIgR, a pIgR domain, an amino acid sequence that is conserved among pIgR's from different animals, and one of several regions of pIgR defined herein.

  本发明公开了可穿过细胞屏障将化合物送入、穿过和排出细胞的复合物，以及生产和使用此类复合物的方法。本发明的复合物和化合物包括生物活性部分和靶向配体的靶向元件，该配体可使与配体特异性结合的药剂具有跨细胞、跨细胞或细胞旁转运特性，但靶向元件不是抗体。此外，还公开了由两个或多个靶向元件组成的配合物和化合物，这些靶向元件指向一种配体，该配体可使与配体特异性结合的药剂具有跨细胞、跨细胞或细胞旁转运特性。优选的配体包括但不限于 pIgR 的柄、pIgR 结构域、不同动物的 pIgR 之间保守的氨基酸序列以及本文定义的 pIgR 的几个区域之一。