4-bromobenzamidine benzenesulfonate

• 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-bromobenzamidine benzenesulfonate
• 英文别名: benzenesulfonic acid ; 4-bromo-benzamidine salt；Benzolsulfonsaeure; 4-Brom-benzamidin-Salz；p-Bromobenzamidine benzenesulfonate；benzenesulfonic acid;4-bromobenzenecarboximidamide
• 化学式: C₆H₆O₃S*C₇H₇BrN₂
• 分子量: 357.228
• InChiKey: PSMVXCLGFREAJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-bromobenzamidine benzenesulfonate 在 喹啉 作用下， 反应 18.0h， 生成 2,4-bis(4-cyanophenyl)-1,3,5-triazine
  参考文献：
  名称：

  双阳离子二芳基三嗪核酸结合剂的合成。

  摘要：

  - 2,4-双[4-(4,5-二氢-1H-咪唑-2-基)苯基]-1,3,5-三嗪6a和2,4-双[4-(1, 4,5,6-四氢嘧啶-2-基)苯基]-1,3,5-三嗪6b 4-溴苯甲脒或4-(氨基甲酰基)苯甲脒分3步制备。4,6-双[4-(4,5-二氢-1H-咪唑-2-基)苯基]-2-二甲氨基-1,3,5-三嗪9a和4,6-双[4-的合成(1,4,5,6-四氢嘧啶-2-基)苯基]-2-二甲氨基-1,3,5-三嗪e 9b 在 2 个步骤中从 1,4-二氰基苯中得到了描述。化合物 6b 和 9b 与 DNA 模型序列强烈结合并抑制来自 2 个微生物来源的拓扑异构酶 II。化合物 6a 和 9a 结合 DNA 和 RNA 模型序列，而 6b 和 9b 基本上不结合 RNA 模型。

  DOI：

  10.1016/0223-5234(94)90061-2
• 作为产物：
  描述：

  4-溴苯腈 、 苯磺酸铵 反应 2.5h， 以51%的产率得到4-bromobenzamidine benzenesulfonate
  参考文献：
  名称：

  双阳离子 2,4-二芳基嘧啶的抗卡氏肺囊虫肺炎活性。

  摘要：

  2,4-双-(4-脒基苯基)嘧啶 6, 2,4-双-[(4-咪唑啉-2-基)苯基)]嘧啶 7, 2,4-双 [(4-四氢嘧啶基- 2-基)苯基]嘧啶 8, 2,4-双[(4-N-丙基脒基)苯基]嘧啶 9, 2,4-双[(4-N-异丙基脒基)-苯基]嘧啶 10 和 2,4-据报道，双[(4-N-异丁基脒基)苯基]嘧啶 11 从 4-溴苯甲脒和 4-溴苯乙酮开始。合成 2-(4-amidinopnenyl)-4-(2-methoxy-4-amidinophenyl)pyrimidine 20, 2-[4-(imidazolin2-yl)-phenyl]-4-[2-me thoxy-4-(咪唑啉-2-基)苯基]嘧啶 21，和 2-[4-(N-异丙基脒基)苯基]-4-[2-甲氧基-4-(N-异丙基)苯基]嘧啶 22描述了 4-溴苯甲脒和 2-甲氧基-4-溴苯乙酮。化合物 6-11 和 20-22 都与

  DOI：

  10.1016/0223-5234(96)83970-5

文献信息

• Methods of treating pneumocystis carinii pneumonia
  申请人：The University of NC at CH

  公开号：US05521189A1

  公开（公告）日：1996-05-28

  The present invention provides methods for treating Pneumocystis carinii pneumonia and Giardia lamblia in a subject in need of such treatment. The methods comprises administering to the subject a compound of Formula I: ##STR1## wherein: X and Y are located in the para or meta positions and are selected from the group consisting of H, loweralkyl, loweralkoxy, and ##STR2## wherein: each R.sub.1 is independently selected from the group consisting of H, loweralkyl, alkoxyalkyl, hydroxyalkyl, aminoalkyl, alkylaminoalkyl, cycloalkyl, aryl, or alkylaryl or two R.sub.1 groups together represent C.sub.2 -C.sub.10 alkyl, hydroxyalkyl, or alkylene, or two R.sub.1 groups together represent ##STR3## wherein m is from 1-3 and R.sub.7 is H or --CONHCR.sub.8 NR.sub.9 R.sub.10.

  本发明提供了治疗需要此类治疗的患者的肺孢子虫肺炎和贾第虫病的方法。该方法包括向患者施用化合物I的方法：##STR1##其中：X和Y位于对位或间位，并且选自由H、较低烷基、较低烷氧基和##STR2##其中：每个R.sub.1独立地选自H、较低烷基、烷氧基烷基、羟基烷基、氨基烷基、烷基氨基烷基、环烷基、芳基、或烷基芳基，或两个R.sub.1基团一起代表C.sub.2-C.sub.10烷基、羟基烷基或烷基烯，或两个R.sub.1基团一起代表##STR3##其中m为1-3，R.sub.7为H或--CONHCR.sub.8NR.sub.9R.sub.10。
• Synthesis of 2,4,6-Tris(4-N-isopropylamidinophenyl)pyrimidine trihydrochloride
  作者：Miroslav Bajić、David Boykin

  DOI：10.3390/60500477

  日期：——

  The synthesis of 2,4,6-tris(4-N-isopropylamidinophenyl)pyrimidine from 1,3-di(4-bromophenyl)propen-3-one and 4-bromobenzamidine is reported.

  报道了从1,3-二(4-溴苯基)丙烯-3-酮和4-溴苯甲脒合成2,4,6-三(4-N-异丙基氨基苯基)嘧啶。
• Compounds for the treatment of pneumocystis carinii Pneumonia, Giardia
  申请人：The University of North Carolina at Chapel Hill

  公开号：US05606058A1

  公开（公告）日：1997-02-25

  The present invention provides compounds useful for treating Pneumocystis carinii pneumonia, Giardia lamblia, and Cryptosporidium parvum in a subject in need of such treatment. The compounds comprise compounds of Formula I: ##STR1##

  本发明提供了一种用于治疗需要此类治疗的主体的肺孢子虫性肺炎、贾第鞭毛虫和小隐孢子虫的化合物。该化合物包括式I的化合物：##STR1##
• Methods of treating cryptosporidium parvum
  申请人：The University of North Carolina at Chapel Hill

  公开号：US05622955A1

  公开（公告）日：1997-04-22

  The present invention provides methods for treating Cryptosporidium parvum in a subject in need of such treatment. The methods comprises administering to the subject a compound of Formula I: ##STR1##

  本发明提供了一种治疗需要此类治疗的个体中的小隐孢子虫的方法。该方法包括向该个体施用化合物I的方法：##STR1##
• Methods of treating Giardia lamblia
  申请人：The University of North Carolina at Chapel Hill

  公开号：US05627184A1

  公开（公告）日：1997-05-06

  The present invention provides methods for treating Pneumocystis carinii pneumonia and Giardia lamblia in a subject in need of such treatment. The methods comprises administering to the subject a compound of Formula I: ##STR1## wherein: X and Y are located in the para or meta positions and are selected from the group consisting of H, loweralkyl, loweralkoxy, and ##STR2## wherein: each R.sub.1 is independently selected from the group consisting of H, loweralkyl, alkoxyalkyl, hydroxyalkyl, aminoalkyl, alkylaminoalkyl, cycloalkyl, aryl, or alkylaryl or two R.sub.1 groups together represent C.sub.2 -C.sub.10 alkyl, hydroxyalkyl, or alkylene, or two R.sub.1 groups together represent ##STR3## wherein m is from 1-3 and R.sub.7 is H or --CONHCR.sub.8 NR.sub.9 R.sub.10, wherein R.sub.8 is loweralkyl, and R.sub.9 and R.sub.10 are each independently selected from the group consisting of H and lower alkyl; R.sub.2 is H, hydroxy, loweralkyl, alkoxyalkyl, hydroxyalkyl, aminoalkyl, alkylaminoalkyl, cycloalkyl, aryl, or alkylaryl; n is a number from 0 to 2; R.sub.3 and R.sub.4 are each independently selected from the group consisting of H, loweralkyl, loweralkoxy, alkylaryl, aryl, oxyaryl, aminoalkyl, aminoaryl, or halogen; and R.sub.5 and R.sub.6 are each independently selected from the group consisting of H, loweralkyl, aryl, alkylaryl, aminoalkyl, aminoaryl, halogen, oxyalkyl, oxyaryl, or oxyarylalkyl; or a phamaceutically acceptable salt thereof. The compound of Formula I is administered in an amount effective to treat the condition. The present invention also provides compounds useful for the treatment of Pneumocystis carinii pneumonia and Giardia lamblia.

  本发明提供了一种用于治疗需要这种治疗的主体的肺孢子菌性肺炎和贾第鞭毛虫的方法。该方法包括向该主体施用公式I的化合物：##STR1##其中：X和Y位于对位或间位，并且选自由H，低烷基，低烷氧基和##STR2##其中：每个R.sub.1独立地选自H，低烷基，烷氧基烷基，羟基烷基，氨基烷基，烷基氨基烷基，环烷基，芳基或烷基芳基或两个R.sub.1群体一起代表C.sub.2-C.sub.10烷基，羟基烷基或烷基烷基，或两个R.sub.1群体一起代表##STR3##其中m为1-3，R.sub.7为H或--CONHCR.sub.8 NR.sub.9 R.sub.10，其中R.sub.8为低烷基，R.sub.9和R.sub.10各自独立地选自H和低烷基；R.sub.2为H，羟基，低烷基，烷氧基烷基，羟基烷基，氨基烷基，烷基氨基烷基，环烷基，芳基或烷基芳基；n为0到2的数字；R.sub.3和R.sub.4各自独立地选自H，低烷基，低烷氧基，烷基芳基，芳基，氧基芳基，氨基烷基，氨基芳基或卤素；R.sub.5和R.sub.6各自独立地选自H，低烷基，芳基，烷基芳基，氨基烷基，氨基芳基，卤素，氧基烷基，氧基芳基或氧基芳基烷基；或其药学上可接受的盐。以有效剂量施用公式I的化合物以治疗该病症。本发明还提供了用于治疗肺孢子菌性肺炎和贾第鞭毛虫的化合物。