2,4-dibromo-6-((p-tolylamino)methyl)phenol | 1323851-57-5

• 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: 2,4-dibromo-6-((p-tolylamino)methyl)phenol
• 英文别名: 2,4-Dibromo-6-[(4-methylanilino)methyl]phenol
• CAS: 1323851-57-5
• 化学式: C₁₄H₁₃Br₂NO
• 分子量: 371.071
• InChiKey: BTCXYBANGDKBPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,4-dibromo-6-((p-tolylimino)methyl)phenol 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 以80%的产率得到2,4-dibromo-6-((p-tolylamino)methyl)phenol
  参考文献：
  名称：

  Design, synthesis and biological evaluation of urea derivatives from o-hydroxybenzylamines and phenylisocyanate as potential FabH inhibitors

  摘要：

  FabH, beta-ketoacyl-acyl carrier protein (ACP) synthase III, is a particularly attractive target, since it is central to the initiation of fatty acid biosynthesis and is highly conserved among Gram-positive and Gram-negative bacteria. A series of o-hydroxybenzylamines 1-16 and its corresponding new urea derivatives 17-32 were synthesized and fully characterized by spectroscopic methods and elemental analysis. This new urea derivatives class demonstrates strong antibacterial activity. Escherichia coli FabH inhibitory assay and docking simulation indicated that the compounds 1-(5-bromo-2-hydroxybenzyl)-1-(4-fluorophenyl)-3-phenylurea (18) and 1-(5-bromo-2-hydroxybenzyl)-1-(4-chlorophenyl)-3-phenylurea (20) were potent inhibitors of E. coli FabH. Crown Copyright (C) 2011 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.06.049

文献信息

• IRE-1alpha INHIBITORS
  申请人：MannKind Corporation

  公开号：US20140080832A1

  公开（公告）日：2014-03-20

  Compounds which directly inhibit IRE-1α activity in vitro, prodrugs, and pharmaceutically acceptable salts thereof. Such compounds and prodrugs are useful for treating diseases associated with the unfolded protein response and can be used as single agents or in combination therapies.

  直接抑制IRE-1α活性的化合物、前药及其药学上可接受的盐。这些化合物和前药可用于治疗与未折叠蛋白应答相关的疾病，并可作为单一药物或联合治疗的组分。
• IRE-1A INHIBITORS
  申请人：MannKind Corporation

  公开号：EP3150589A1

  公开（公告）日：2017-04-05

  The present invention relates to compounds which directly inhibit IRE-1α activity, and which are useful for treating diseases associated with the unfolded protein response and can be used as single agents or in combination therapies.

  本发明涉及直接抑制 IRE-1α 活性的化合物，这些化合物可用于治疗与未折叠蛋白反应相关的疾病，并可用作单药或联合疗法。
• IRE-1alpha Inhibitors
  申请人：MannKind Corporation

  公开号：US20160168116A1

  公开（公告）日：2016-06-16

  Compounds which directly inhibit IRE-1α activity in vitro, prodrugs, and pharmaceutically acceptable salts thereof. Such compounds and prodrugs are useful for treating diseases associated with the unfolded protein response and can be used as single agents or in combination therapies.
• US7858666B2
  申请人：——

  公开号：US7858666B2

  公开（公告）日：2010-12-28
• US9241942B2
  申请人：——

  公开号：US9241942B2

  公开（公告）日：2016-01-26