3-氨基-5-氯-2-羟基苯甲酸 | 7180-80-5

• 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: 3-氨基-5-氯-2-羟基苯甲酸
• 英文名称: 3-amino-5-chloro-2-hydroxybenzoic acid
• 英文别名: 3-amino-5-chloro-2-hydroxy-benzoic acid；3-Amino-5-chlor-2-hydroxy-benzoesaeure；5-Chlor-3-amino-salicylsaeure
• CAS: 7180-80-5
• 化学式: C₇H₆ClNO₃
• mdl: MFCD20547550
• 分子量: 187.583
• InChiKey: QVMLSLMPRXSBEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  83.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-氨基-5-氯-2-羟基苯甲酸 在 亚硝酸特丁酯 、 copper(ll) sulfate pentahydrate 、 叠氮基三甲基硅烷 、 sodium ascorbate 作用下， 以 水 、 乙腈 、 叔丁醇 为溶剂， 生成 5-chloro-2-hydroxy-3-[4-(4-nitrophenoxymethyl)-1H-1,2,3-triazol-1-yl]benzoic acid
  参考文献：
  名称：

  Design and synthesis of 5-chloro-2-hydroxy-3-triazolylbenzoic acids as HIV integrase inhibitors

  摘要：

  A series of potential HIV-1 integrase inhibitors based on 5-chloro-2-hydroxy-3-triazolylbenzoic acid scaffold was designed and synthesized. Some of these compounds exhibit potent inhibitory activities at micromolar concentrations against HIV-1 integrase in the 3'-end processing and the strand transfer step.

  DOI：

  10.1007/s00044-015-1325-9
• 作为产物：
  描述：

  5-氯代水杨酸 在 sodium dithionite 、 硫酸 、 水 、 硝酸 作用下， 以 甲醇 为溶剂， 生成 3-氨基-5-氯-2-羟基苯甲酸
  参考文献：
  名称：

  Design and synthesis of 5-chloro-2-hydroxy-3-triazolylbenzoic acids as HIV integrase inhibitors

  摘要：

  A series of potential HIV-1 integrase inhibitors based on 5-chloro-2-hydroxy-3-triazolylbenzoic acid scaffold was designed and synthesized. Some of these compounds exhibit potent inhibitory activities at micromolar concentrations against HIV-1 integrase in the 3'-end processing and the strand transfer step.

  DOI：

  10.1007/s00044-015-1325-9

文献信息

• CONDENSED BENZAMIDE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VR1) ACTIVITY
  申请人：Koga Yoshihisa

  公开号：US20060035882A1

  公开（公告）日：2006-02-16

  To provide a compound having an excellent inhibitory effect on vanilloid receptor subtype 1 (VR1) activity which is effective in treating diseases to which the vanilloid receptor subtype 1 (VR1) activity is involved, such as pain, acute pain, chronic pain, neuropathic pain, rheumatoid arthritis pain, neuralgia, etc. and a pharmaceutical composition containing the compound. The object has been attained by a condensed benzamide compound represented by the following formula (the symbols in the formula have the same meanings defined in the specification) or its salt:

  提供一种对vanilloid受体亚型1（VR1）活性具有出色抑制作用的化合物，该化合物对于治疗与vanilloid受体亚型1（VR1）活性有关的疾病具有有效性，如疼痛、急性疼痛、慢性疼痛、神经病性疼痛、类风湿性关节炎疼痛、神经痛等，以及含有该化合物的药物组合物。该目标通过下面的式子所代表的缩合苯甲酰胺化合物（式子中的符号在说明书中定义了相同的含义）或其盐实现：
• FUSED BENZAMIDE COMPOUND AND VANILLOID RECEPTOR 1 (VR1) ACTIVITY INHIBITOR
  申请人：Japan Tobacco, Inc.

  公开号：EP1777225A1

  公开（公告）日：2007-04-25

  To provide a compound having an excellent inhibitory effect on vanilloid receptor subtype 1 (VR1) activity which is effective in treating diseases to which the vanilloid receptor subtype 1 (VR1) activity is involved, such as pain, acute pain, chronic pain, neuropathic pain, rheumatoid arthritis pain, neuralgia, etc. and a pharmaceutical composition containing the compound. The object has been attained by a condensed benzamide compound represented by the following formula (the symbols in the formula have the same meanings defined in the specification) or its salt:

  提供一种对香草素受体亚型 1（VR1）活性具有优异抑制作用的化合物，该化合物可有效治疗与香草素受体亚型 1（VR1）活性有关的疾病，如疼痛、急性疼痛、慢性疼痛、神经病理性疼痛、类风湿性关节炎疼痛、神经痛等，以及含有该化合物的药物组合物。由下式（式中符号与说明书中定义的含义相同）代表的缩合苯甲酰胺化合物或其盐已达到上述目的：
• Condensed benzamide compounds as inhibitors of vanilloid receptor subtype 1 (VR1) activity
  申请人：Japan Tobacco, Inc.

  公开号：EP2314585A1

  公开（公告）日：2011-04-27

  To provide a compound having an excellent inhibitory effect on vanilloid receptor subtype 1 (VR1) activity which is effective in treating diseases to which the vanilloid receptor subtype 1 (VR1) activity is involved, such as pain, acute pain, chronic pain, neuropathic pain, rheumatoid arthritis pain, neuralgia, etc. and a pharmaceutical composition containing the compound. The object has been attained by a condensed benzamide compound represented by the following formula (the symbols in the formula have the same meanings defined in the specification) or its salt:

  提供一种对香草素受体亚型 1（VR1）活性具有优异抑制作用的化合物，该化合物可有效治疗与香草素受体亚型 1（VR1）活性有关的疾病，如疼痛、急性疼痛、慢性疼痛、神经病理性疼痛、类风湿性关节炎疼痛、神经痛等，以及含有该化合物的药物组合物。由下式（式中符号与说明书中定义的含义相同）代表的缩合苯甲酰胺化合物或其盐已达到上述目的：
• Ried,W.; Appel,H., Justus Liebigs Annalen der Chemie, 1964, vol. 679, p. 56 - 77
  作者：Ried,W.、Appel,H.

  DOI：——

  日期：——
• DE137118
  申请人：——

  公开号：——

  公开（公告）日：——