N-(3-chloro-2-carboxy-phenyl)glycine | 729597-47-1

• 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: N-(3-chloro-2-carboxy-phenyl)glycine
• 英文别名: 2-(Carboxymethyl-amino)-6-chloro-benzoic acid；2-(carboxymethylamino)-6-chlorobenzoic acid
• CAS: 729597-47-1
• 化学式: C₉H₈ClNO₄
• 分子量: 229.62
• InChiKey: OIXXWHGSUFJMBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  86.6
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(3-chloro-2-carboxy-phenyl)glycine 在 硫酸 作用下， 生成 2-chloro-6-(methoxycarbonylmethyl-amino)-benzoic acid methyl ester
  参考文献：
  名称：

  DE231962

  摘要：

  公开号：
• 作为产物：
  描述：

  4-氯靛红 在 sodium hydroxide 、 双氧水 、 sodium carbonate 作用下， 生成 N-(3-chloro-2-carboxy-phenyl)glycine
  参考文献：
  名称：

  Holt; Sadler, Proceedings of the Royal Society of London. Series B, Biological sciences, 1958, vol. 148, p. 481,488

  摘要：

  DOI：

文献信息

• Halogenated Phenols for Diagnostics, Antioxidant Protection and Drug Delivery
  申请人：Latham Keith R.

  公开号：US20180117164A1

  公开（公告）日：2018-05-03

  The present invention provides compositions and methods for the targeted delivery, release and/or formation of a drug compound at a target site(s) within the body of an individual, such as a diseased and/or inflamed tissue in the body of the individual. These compositions may comprise a halogenated phenol ring cleavably linked to a core structure of a drug compound. Due to the variety of substituents that may be utilized in forming the different types of linkages, numerous examples of drug compounds linked to a halogenated phenol ring are proposed. The present invention further provides compositions comprising halogenated phenol starting compounds that do not undergo cleavage during a dehalogenation reaction to form a drug compound in a targeted tissue when administered to an individual. Methods of administering these non-cleaving compounds are further provided.

  本发明提供了用于在个体体内的目标部位（如个体体内的患病和/或发炎组织）定向传递、释放和/或形成药物化合物的组合物和方法。这些组合物可能包括可被切断连接到药物化合物的核结构的卤代酚环。由于在形成不同类型的连接时可以利用的取代基的多样性，提出了与卤代酚环连接的药物化合物的众多示例。本发明还提供了包含卤代酚起始化合物的组合物，当向个体施用时，在靶向组织中不会在去卤反应期间发生切断以形成药物化合物。进一步提供了施用这些非切断化合物的方法。
• HALOGENATED PHENOLS FOR DIAGNOSTICS, ANTIOXIDANT PROTECTION AND DRUG DELIVERY
  申请人：Latham Keith R.

  公开号：US20130022549A1

  公开（公告）日：2013-01-24

  The present invention relates to a composition and method for the detection of a detectable product formed from a compound of the present invention in the body of an individual. The detectable product may include a halide or a benzenetriol-based or benzenetetrol-based product of a dehalogenation reaction in the presence of FROS. In many embodiments, an indigo-like product formed from an indigogenic compound of the present invention may also be a detectable product for diagnostic purposes. This indigo-like product may have a higher residence time in tissues where it is formed, thus providing a detectable product localized to sites of high FROS. An indigogenic compound containing one or more radioactive isotopes is further provided for therapeutic purposes.

  本发明涉及一种用于检测本发明化合物在个体体内形成的可检测产物的组合物和方法。可检测产物可能包括在FROS存在下的卤化物或苯三酚基或苯四酚基的脱卤反应产物。在许多实施例中，本发明的吲哚类化合物形成的类似靛蓝的产物也可以用于诊断目的的可检测产物。这种类似靛蓝的产物在形成的组织中具有更长的停留时间，因此提供了定位于高FROS位点的可检测产物。进一步提供了含有一个或多个放射性同位素的吲哚类化合物，用于治疗目的。
• Halogenated phenols for diagnostics, antioxidant protection and drug delivery
  申请人：Latham Keith R.

  公开号：US10220100B2

  公开（公告）日：2019-03-05

  The present invention provides compositions and methods for the targeted delivery, release and/or formation of a drug compound at a target site(s) within the body of an individual, such as a diseased and/or inflamed tissue in the body of the individual. These compositions may comprise a halogenated phenol ring cleavably linked to a core structure of a drug compound. Due to the variety of substituents that may be utilized in forming the different types of linkages, numerous examples of drug compounds linked to a halogenated phenol ring are proposed. The present invention further provides compositions comprising halogenated phenol starting compounds that do not undergo cleavage during a dehalogenation reaction to form a drug compound in a targeted tissue when administered to an individual. Methods of administering these non-cleaving compounds are further provided.

  本发明提供了在人体内靶点（如人体内的病变和/或发炎组织）靶向递送、释放和/或形成药物化合物的组合物和方法。这些组合物可包括与药物化合物核心结构可裂解连接的卤代酚环。由于可用于形成不同类型连接的取代基种类繁多，因此提出了许多与卤代酚环连接的药物化合物实例。本发明进一步提供了由卤代苯酚起始化合物组成的组合物，这些化合物在脱卤反应中不会发生裂解，从而在给人用药时在目标组织中形成药物化合物。本发明还进一步提供了施用这些非裂解化合物的方法。
• [EN] HALOGENATED PHENOLS FOR DIAGNOSTICS, ANTIOXIDANT PROTECTION AND DRUG DELIVERY<br/>[FR] PHÉNOLS HALOGÉNÉS UTILISÉS À DES FINS DE DIAGNOSTIC, DE PROTECTION ANTIOXYDANTE ET DE DIFFUSION DE MÉDICAMENTS
  申请人：LATHAM KEITH R

  公开号：WO2013010102A3

  公开（公告）日：2013-03-07
• Holt; Sadler, Proceedings of the Royal Society of London. Series B, Biological sciences, 1958, vol. 148, p. 481,491,492
  作者：Holt、Sadler

  DOI：——

  日期：——