N-[3-[(4-chlorophenyl)sulfonylamino]propyl]-4-methyl-benzenesulfonamide

• 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: N-[3-[(4-chlorophenyl)sulfonylamino]propyl]-4-methyl-benzenesulfonamide
• 英文别名: N-[3-[(4-chlorophenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
• 化学式: C₁₆H₁₉ClN₂O₄S₂
• 分子量: 402.9
• InChiKey: WFYXHWDEWYAWHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Benzende sulfonamide derivatives as HIV integrase inhibitors
  申请人：HOWARD UNIVERSITY

  公开号：US10301258B2

  公开（公告）日：2019-05-28

  Methods for treating retroviral infection or inhibiting HIV integrase in target cells or in a patient involve administering to target cells or to a patient in need of treatment an effective amount of at least one having a disulfonamide scaffold which is represented by the formula: wherein, independent of each other, each X independently represents hydrocarbyl, halogeno, amino, substituted amino, or alkoxy, wherein substituted amino is represented by —NR3,R4 wherein R3 and R4, are not both hydrogen and independently represent alkyl or alkenyl, n is an integer of 0, 1, 2, or 3, each Y independently represents hydrocarbyl, halogeno, amino, substituted amino or alkoxy, wherein substituted amino is represented by —NR3,R4 wherein R3 and R4, are not both hydrogen and independently represent alkyl or alkenyl, m is an integer of 0, 1, 2, or 3, and R represents di-valent hydrocarbyl, substituted or unsubstituted.

  治疗逆转录病毒感染或抑制靶细胞或患者体内艾滋病毒整合酶的方法包括向靶细胞或需要治疗的患者施用有效量的至少一种具有二磺酰胺支架的物质，该支架由式表示： 其中，相互独立、 每个 X 独立地代表烃基、卤素、氨基、取代的氨基或烷氧基，其中取代的氨基由 -NR3,R4 表示，其中 R3 和 R4 既不是氢，也独立地代表烷基或烯基、 n 是 0、1、2 或 3 的整数、 每个 Y 独立地代表烃基、卤素、氨基、取代氨基或烷氧基，其中取代氨基由 -NR3,R4 表示，其中 R3 和 R4 既不是氢也不是独立地代表烷基或烯基、 m 是 0、1、2 或 3 的整数，以及 R 代表取代或未取代的二价烃基。
• BENZENDE SULFONAMIDE DERIVATIVES AS HIV INTEGRASE INHIBITORS
  申请人：HOWARD UNIVERSITY

  公开号：US20170008839A1

  公开（公告）日：2017-01-12

  Methods for treating retroviral infection or inhibiting HIV integrase in target cells or in a patient involve administering to target cells or to a patient in need of treatment an effective amount of at least one having a disulfonamide scaffold which is represented by the formula: wherein, independent of each other, each X independently represents hydrocarbyl, halogeno, amino, substituted amino, or alkoxy, wherein substituted amino is represented by —NR 3 ,R 4 wherein R 3 and R 4 , are not both hydrogen and independently represent alkyl or alkenyl, n is an integer of 0, 1, 2, or 3, each Y independently represents hydrocarbyl, halogeno, amino, substituted amino or alkoxy,wherein substituted amino is represented by —NR 3 ,R 4 wherein R 3 and R 4 , are not both hydrogen and independently represent alkyl or alkenyl, m is an integer of 0, 1, 2, or 3, and R represents di-valent hydrocarbyl, substituted or unsubstituted.