4-(5-溴吡啶-2-基)苯甲醛 | 910547-57-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 4-(5-溴吡啶-2-基)苯甲醛
• 英文名称: 4-(5-bromopyridin-2-yl)-benzaldehyde
• 英文别名: 4-(5-Bromopyridin-2-yl)benzaldehyde
• CAS: 910547-57-8
• 化学式: C₁₂H₈BrNO
• 分子量: 262.106
• InChiKey: HCDXYVUTWWHVKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 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：
  30
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  4-(5-溴吡啶-2-基)苯甲醛 在 四(三苯基膦)钯 盐酸羟胺 、 potassium tert-butylate 、 sodium carbonate 、 溶剂黄146 作用下， 以 1,4-二氧六环 、 甲醇 、 二甲基亚砜 为溶剂， 5.0~100.0 ℃ 、6.67 kPa 条件下， 反应 34.0h， 生成 5-[6-(4-amidinophenyl)-pyridin-3-yl]-furan-2-carboxamidine acetate
  参考文献：
  名称：

  Synthesis, DNA Affinity, and Antiprotozoal Activity of Linear Dications:  Terphenyl Diamidines and Analogues

  摘要：

  Diamidines 10a-g and 18a, b were obtained from dinitriles 9a-g and 15a, b by treatment with lithium trimethylsilylamide or upon hydrogenation of bis-O-acetoxyamidoximes. Dinitriles 9a-g were prepared via Suzuki reactions between arylboronic acids and arylnitriles. Potential prodrugs 12a-f and 17 were prepared via methylation of the diamidoximes 11a-f and 16a. Significant DNA affinities for rigid-rod molecules were observed. Compounds 10a, 10b, 10d, 18a, and 18b show IC50 values of 5 nM or less against Trypanosoma brucei rhodesiense ( T. b. r.) and 10a, 10b, 10e, 18a, and 18b gave similar ones against Plasmodium falciparum ( P. f.). The dications, 10a, 10d, 10f, and 10g are more active than furamidine in vivo. The prodrugs are only moderately effective on oral administration. Mouse liver microsome bioconversion of the methamidoxime prodrugs is significantly reduced from that of pafuramidine and suggests that the in vivo efficacy of these prodrugs is, in part, due to poor bioconversion.

  DOI：

  10.1021/jm060470p
• 作为产物：
  描述：

  2,5-二溴吡啶 、 4-甲酰基苯硼酸 以to afford 4-(5-bromo-2-pyridyl)benzaldehyde 40.12的产率得到4-(5-溴吡啶-2-基)苯甲醛
  参考文献：
  名称：

  Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds

  摘要：

  本发明揭示了具有HIV蛋白酶抑制性能的膦酸酯取代化合物，其具有作为治疗剂和其他工业用途的用途。这些组合物抑制HIV蛋白酶活性和/或在治疗艾滋病和其他抗病毒感染方面具有治疗用途，以及在检测HIV蛋白酶方面的试验中有用。

  公开号：

  US07649015B2

文献信息

• Method and compositions for identifying anti-HIV therapeutic compounds
  申请人：Arimilli N. Murty

  公开号：US20050239054A1

  公开（公告）日：2005-10-27

  Methods are provided for identifying anti-HIV therapeutic compounds substituted with carboxyl ester or phosphonate ester groups. Libraries of such compounds are screened optionally using the novel enzyme GS-7340 Ester Hydrolase. Compositions and methods relating to GS-7340 Ester Hydrolase also are provided.

  提供了一种识别含有羧酸酯或磷酸酯基团取代的抗HIV治疗化合物的方法。可以选择使用新型酶GS-7340酯水解酶对这类化合物库进行筛选。还提供了与GS-7340酯水解酶相关的组合物和方法。
• Linear dicationic terphenyls and their aza analogues as antiparasitic agents
  申请人：THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

  公开号：EP1736466A1

  公开（公告）日：2006-12-27

  Novel dicationic terphenyl compounds and their aza analogues. Methods for combating microbial infections with novel dicationic terphenyl compounds and their aza analogues. Processes for synthesizing novel dicationic terphenyl compounds and their aza analogues.

  小说二阳离子三苯基化合物及其氮杂环衍生物。使用小说二阳离子三苯基化合物及其氮杂环衍生物对抗微生物感染的方法。合成小说二阳离子三苯基化合物及其氮杂环衍生物的过程。
• Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds
  申请人：Arimilli N. Murty

  公开号：US20070010489A1

  公开（公告）日：2007-01-11

  Phosphonate substituted compounds with HIV protease inhibitory properties having use as therapeutics and for other industrial purposes are disclosed. The compositions inhibit 5 HIV protease activity and/or are useful therapeutically for the treatment of AIDS and other antiviral infections, as well as in assays for the detection of HIV protease.

  本发明揭示了具有HIV蛋白酶抑制剂性质的膦酸酯取代化合物，其具有作为治疗剂和其他工业用途的用途。该组合物抑制5型HIV蛋白酶活性和/或在治疗艾滋病和其他抗病毒感染方面具有治疗作用，以及在检测HIV蛋白酶方面的检测中有用。
• Teraryl components as antiparasitic agents
  申请人：The University of North Carolina at Chapel Hill

  公开号：US07964619B2

  公开（公告）日：2011-06-21

  Disclosed herein are novel dicationic teraryl compounds and their aza analogues, including compounds of Formula (IIe): wherein p and q are each 0 and each A, Y and Z is CR4. An exemplary compound of Formula (IIe) is: Methods for combating microbial infections, such as parasitic Leishmania species, with novel dicationic terphenyl compounds and their aza analogues are included. Processes for synthesizing novel dicationic terphenyl compounds and their aza analogues are disclosed along with methods for evaluation of the compounds as potential anti-protozoan agents.

  本文披露了新型二阳离子的三苯基化合物及其氮杂环类似物，包括公式（IIe）的化合物：其中p和q均为0，每个A，Y和Z均为CR4。公式（IIe）的一个示例化合物为：与新型二阳离子的三苯基化合物及其氮杂环类似物一起，还包括用于对抗微生物感染（如寄生虫利什曼体属）的方法。本文还披露了合成新型二阳离子的三苯基化合物及其氮杂环类似物的过程，以及评估这些化合物作为潜在抗原虫剂的方法。
• Substituted pyridines as antiparasitic AZA teraryl compounds
  申请人：The University of North Carolina at Chapel Hill

  公开号：US08188121B2

  公开（公告）日：2012-05-29

  Novel aza analogues of dicationic terphenyl compounds for use in combating microbial infections are described. The compounds include those of Formula (III): wherein one of A1, Y1, and Z1 is N; Ar1 is phenylene; and Ar3 is a nitrogen-containing aromatic group. An exemplary compound of Formula (III) is:

  本文描述了用于对抗微生物感染的二阳离子三苯基化合物的新型氮杂脲类似物。这些化合物包括公式（III）中的化合物：其中A1，Y1和Z1中的一个是N；Ar1是苯基；Ar3是含氮芳香族基团。公式（III）的示例化合物为：