2-氨基-5-溴苯甲酸叔丁酯 | 668969-63-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氨基-5-溴苯甲酸叔丁酯
• 英文名称: tert-butyl 2-amino-5-bromobenzoate
• 英文别名: tert-butyl 2-amino-5-bromo-benzoate
• CAS: 668969-63-9
• 化学式: C₁₁H₁₄BrNO₂
• 分子量: 272.142
• InChiKey: OMHOTPHULFOYPL-UHFFFAOYSA-N

物化性质

• 沸点：
  318.8±22.0 °C(Predicted)
• 密度：
  1.393±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  6-Hexylsulfanylpyridine-3-carboxylic acid 、 2-氨基-5-溴苯甲酸叔丁酯 在 吡啶 、 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Preparation of novel anthranilic acids as antibacterial agents: Extensive evaluation of structural and physical properties on antibacterial activity and human serum albumin affinity

  摘要：

  In the past few years a significant effort has been devoted by Pharmacia toward the discovery of novel antibiotics. We have recently described the identification of an anthranilic acid lead 1 and the optimization resulting in the advanced lead 2. In this report, we describe the preparation of several selected analogs to probe the dependency of this template for antibacterial activity and the affinity these compounds have for human serum albumin (HSA). These analogs illustrate that decreased affinity for HSA can be achieved while retaining relevant antibacterial activity. The most important factor for reduced HSA affinity is decrease in log P rather than a structural change. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.036
• 作为产物：
  描述：

  邻氨基苯甲酸正丁酯 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 4.0h， 以79%的产率得到2-氨基-5-溴苯甲酸叔丁酯
  参考文献：
  名称：

  [EN] ANTIBACTERIAL BENZOIC ACID DERIVATIVES
  [FR] DERIVES D'ACIDES BENZOIQUES ANTIBACTERIENS

  摘要：

  这项发明提供了抗菌剂和使用这些剂进行哺乳动物的消毒、卫生、防腐、消毒和治疗感染的方法。

  公开号：

  WO2004018428A1

文献信息

• Antibacterial benzoic acid derivatives
  申请人：——

  公开号：US20040110802A1

  公开（公告）日：2004-06-10

  The invention provides antimicrobial agents and methods of using the agents for sterilization, sanitation, antisepsis, disinfection, and treatment of infections in mammals.

  这项发明提供了抗微生物药剂及其使用方法，用于哺乳动物的消毒、卫生、防腐、消毒和治疗感染。
• NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20230167074A1

  公开（公告）日：2023-06-01

  An object of the present invention is to provide a compound useful as an anti-tumor agent or the like; an intermediate thereof; and a pharmaceutical composition, an anti-tumor agent, and a dihydroorotate dehydrogenase inhibitor, each of which contains the compound. According to the present invention, there is provided a compound represented by General Formula (1) or a salt thereof: in the formula, Z 1 , Z 2 , and Z 3 are the same as or different from each other and represent a nitrogen atom or CH; Z 4 represents a nitrogen atom or a general formula of CR 6 ; Z 5 represents a nitrogen atom or a general formula of CR 7 provided that at least one of Z 1 , Z 2 , Z 3 , Z 4 , or Z 5 represents a nitrogen atom; R 1 represents a general formula of CONHR 8 or the like; R 2 represents a C 3-8 cycloalkyl group which may be substituted or the like; R 3 , R 5 , R 6 , and R 7 are the same as or different from each other and represent a hydrogen atom, a halogen atom, or the like; R 4 represents an aryl group which may be substituted or a heterocyclic group which may be substituted; R 8 represents a general formula of SO 2 R 9 or the like; and R 9 represents an amino group which may be protected or the like.

  本发明的目的是提供一种作为抗肿瘤药物或类似物的化合物；其中间体；以及包含该化合物的制药组合物、抗肿瘤药物和二氢乳酸脱氢酶抑制剂。根据本发明，提供一种由通式（1）表示的化合物或其盐： 在该式中，Z1、Z2和Z3互相相同或不同，表示氮原子或CH；Z4表示氮原子或CR6的通式；Z5表示氮原子或CR7的通式，但至少有Z1、Z2、Z3、Z4或Z5表示氮原子；R1表示CONHR8的通式或类似物；R2表示可以被取代的C3-8环烷基或类似物；R3、R5、R6和R7互相相同或不同，表示氢原子、卤素原子或类似物；R4表示可以被取代的芳基或可以被取代的杂环基；R8表示SO2R9的通式或类似物；R9表示可以被保护的氨基或类似物。
• [EN] ANTIBACTERIAL BENZOIC ACID DERIVATIVES<br/>[FR] DERIVES D'ACIDES BENZOIQUES ANTIBACTERIENS
  申请人：UPJOHN CO

  公开号：WO2004018428A1

  公开（公告）日：2004-03-04

  The invention provides antimicrobial agents and methods of using the agents for sterilization, sanitation, antisepsis, disinfection, and treatment of infections in mammals.

  这项发明提供了抗菌剂和使用这些剂进行哺乳动物的消毒、卫生、防腐、消毒和治疗感染的方法。
• Preparation of novel anthranilic acids as antibacterial agents: Extensive evaluation of structural and physical properties on antibacterial activity and human serum albumin affinity
  作者：Atli Thorarensen、Jianke Li、Brian D. Wakefield、Donna L. Romero、Keith R. Marotti、Michael T. Sweeney、Gary E. Zurenko、Ronald W. Sarver

  DOI：10.1016/j.bmcl.2007.03.036

  日期：2007.6

  In the past few years a significant effort has been devoted by Pharmacia toward the discovery of novel antibiotics. We have recently described the identification of an anthranilic acid lead 1 and the optimization resulting in the advanced lead 2. In this report, we describe the preparation of several selected analogs to probe the dependency of this template for antibacterial activity and the affinity these compounds have for human serum albumin (HSA). These analogs illustrate that decreased affinity for HSA can be achieved while retaining relevant antibacterial activity. The most important factor for reduced HSA affinity is decrease in log P rather than a structural change. (C) 2007 Elsevier Ltd. All rights reserved.