7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole | 84458-52-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 7-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole
• CAS: 84458-52-6
• 化学式: C11H5N7O3S
• 分子量: 315.27
• InChiKey: WPEZIZWVHZBGSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  165
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• USE OF 7-NITRO-2,1,3 BENZOXADIAZOLE DERIVATIVES FOR ANTICANCER THERAPY
  申请人：Università degli Studi di Roma " Tor Vergata"

  公开号：EP1615638B1

  公开（公告）日：2006-09-27
• 6-ETHER/THIOETHER-PURINES AS TOPOISOMERASE II CATALYTIC INHIBITORS AND THEIR USE IN THERAPY
  申请人：Jensen Lars Hollund

  公开号：US20090209535A1

  公开（公告）日：2009-08-20

  The present invention relates to certain purines of the following formulae, which act as topoisomerase II catalytic inhibitors: wherein: J is independently: —H or —NR N1 R N2 ; X is independently: —O—, or —S—; Q is independently: a covalent bond, C 1-7 alkylene, C 2-7 alkenylene, C 2-7 alkynylene, C 3-7 cycloalkylene, C 3-7 cycloalkenylene, or C 3-7 cycloalkynylene; T is independently: a group A 1 or a group A 2 ; A 1 is independently: C 6-14 carboaryl, C 5-14 heteroaryl, C 3-12 carbocyclic, or C 3-12 heterocyclic; and is independently unsubstituted or substituted; A 2 is independently: —H, —CN, —OH, or —O(C═O)—C 1-7 alkyl; R N is independently —H or a nitrogen ring substituent; R 8 is independently —H or a ring substituent; either: each of R N1 and R N2 is independently —H or a nitrogen substituent; or: R N1 and R N2 taken together with the nitrogen atom to which they are attached form a ring having from 3 to 7 ring atoms; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, N-oxides, chemically protected forms, and prodrugs thereof. These compounds are useful in combination with topoisomerase II poisons, such as anthracyclines and epipodophyllotoxins, in the treatment of proliferative conditions (e.g., cancer). These compounds are also useful in the treatment of tissue damage associated with extravasation of a topoisomerase II poison, such as an anthracycline or an epipodophyllotoxin.
• 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION
  申请人：Kessler Ulrich

  公开号：US20120122896A1

  公开（公告）日：2012-05-17

  A 2,1,3-benzoxadiazole compound as a medicament according to the invention is one of the following compounds: 4-[(4-methoxybenzyl)thio]-7-nitro-2,1,3-benzoxadiazole, 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]ethyl 4-methoxybenzene-1-sulfonate, 4-[(4-methylphenyl)thio]-7-nitro-2,1,3-benzoxadiazole, 4-[(2,4-dichlorophenyl)thio]-7-nitro-2,1,3-benzoxadiazole, 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]ethan-1-ol, 4-[(4-methylbenzyl)thio]-7-nitro-2,1,3-benzoxadiazole, 4-[(4-fluorophenyl)thio]-7-nitro-2,1,3-benzoxadiazole, 4-[(3-chlorophenyl)-thio]-7-nitro-2,1,3-benzoxadiazole, 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]ethyl-4-methoxy-benzoate, 5-[4-(tert-butyl)-1,3-thiazol-2-yl]-2,1,3-benzoxadiazole, N-benzyl-4-nitro-2,1,3-benzoxadiazol-5-amine, 4-nitro-7-(phenylmethylsulfanyl)-2,1,3-benzoxadiazole, 4-nitro-7-(phenylmethylsulfonyl)-2,1,3-benzoxadiazole, 2-(hydroxymethyl)-5-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)sulfanyl]purin-9-yl]oxolane-3,4-diole, or 2-[2-amino-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)sulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol; or a physiologically tolerable salt, solvate, or physiologically functional derivative thereof. Said compounds are particularly advantageous for treating and/or preventing influenza type A and/or influenza type B infections in humans, mammals and/or birds, and for treating and/or preventing respiratory syncytial virus infections in humans, mammals and/or birds.
• US8796317B2
  申请人：——

  公开号：US8796317B2

  公开（公告）日：2014-08-05