1-[4-[2-(2-azidoethoxy)ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione | 1293397-33-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 1-[4-[2-(2-azidoethoxy)ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione
• CAS: 1293397-33-7
• 化学式: C₂₅H₂₇N₇O₅
• 分子量: 505.533
• InChiKey: WVHPGRQSCXFXIS-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  119
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS
  申请人：Spiegel David

  公开号：US20120269766A1

  公开（公告）日：2012-10-25

  The present invention is directed to new bifunctional compounds and methods for treating HIV infections. The bifunctional small molecules, generally referred to as ARM-H′ function through orthogonal pathways, by inhibiting the gp120-CD4 interaction, and by recruiting anti-DNP antibodies to gp120-expressing cells, thereby preventing cell infection and spread of HIV. It has been shown that ARM-H's bind to gp120 and gp-120 expressing cells competitively with CD4, thereby decreasing viral infectivity as shown by an MT-2 cell assay, the binding leading to formation of a ternary complex by recruiting anti-DNP antibodies to bind thereto, the antibodies present in the ternary complex promoting the complement-dependent destruction of the gp120-expressing cells. Compounds and methods are described herein.

  本发明涉及新的双功能化合物和治疗HIV感染的方法。这些双功能小分子通常被称为ARM-H'，通过抑制gp120-CD4相互作用和招募抗DNP抗体到gp120表达细胞上，从而通过正交途径发挥作用，防止细胞感染和HIV的传播。已经证明ARM-H与gp120和gp-120表达的细胞竞争性地结合CD4，从而通过MT-2细胞测定减少病毒的感染性，结合导致三元复合物的形成，招募抗DNP抗体结合到其中，三元复合物中的抗体促进gp120表达细胞的补体依赖性破坏。本文描述了化合物和方法。
• Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus
  申请人：YALE UNIVERSITY

  公开号：US10188727B2

  公开（公告）日：2019-01-29

  The present invention is directed to new bifunctional compounds and methods for treating HIV infections. The bifunctional small molecules, generally referred to as ARM-H's, function through orthogonal pathways, by inhibiting the gp120-CD4 interaction, and by recruiting anti-DNP antibodies to gp120-expressing cells, thereby preventing cell infection and spread of HIV. It has been shown that ARM-H's bind to gp120 and gp-120 expressing cells competitively with CD4, thereby decreasing viral infectivity as shown by an MT-2 cell assay, the binding leading to formation of a ternary complex by recruiting anti-DNP antibodies to bind thereto, the antibodies present in the ternary complex promoting the complement-dependent destruction of the gp120-expressing cells. Compounds and methods are described herein.

  本发明涉及治疗艾滋病毒感染的新型双功能化合物和方法。这种双功能小分子一般称为 ARM-H，通过正交途径发挥作用，抑制 gp120 与 CD4 的相互作用，并将抗 DNP 抗体募集到表达 gp120 的细胞，从而防止细胞感染和 HIV 的传播。研究表明，ARM-H 能与 CD4 竞争性地结合到 gp120 和表达 gp-120 的细胞上，从而降低病毒的感染性（如 MT-2 细胞试验所示），这种结合通过招募抗 DNP 抗体与其结合而形成三元复合物，存在于三元复合物中的抗体能促进依赖补体的 gp120 表达细胞的破坏。本文描述了化合物和方法。
• US9181224B2
  申请人：——

  公开号：US9181224B2

  公开（公告）日：2015-11-10