N-carbomethoxy-4-chloroanthranilic acid | 87324-38-7

• 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-carbomethoxy-4-chloroanthranilic acid
• 英文别名: 5-Chloro-2-[(methoxycarbonyl)amino]benzoic acid；5-chloro-2-(methoxycarbonylamino)benzoic acid
• CAS: 87324-38-7
• 化学式: C₉H₈ClNO₄
• mdl: MFCD11128963
• 分子量: 229.62
• InChiKey: ATYARTVGNCRXEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  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：
  0.111
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-carbomethoxy-4-chloroanthranilic acid 、 (3S)-3-amino-N-cyclopropyl-2-hydroxy-4-((3R,5R)-5-methyl-2-oxopyrrolidin-3-yl)butanamide 在 碳酸氢钠 、 戴斯-马丁氧化剂 、 N,N-二异丙基乙胺 、 (1,2,3-benzotriazol-1-yloxy)tris(dimethylamino)phosphanium hexafluoro-lambda5-phosphanuide 作用下， 以 二氯甲烷 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 methyl (4-chloro-2-(((S)-1-((3S,5R)-5-methyl-2-oxopyrrolidin-3-yl)-4-(methylamino)-3,4-dioxobutan-2-yl)carbamoyl)phenyl)carbamate
  参考文献：
  名称：

  2-AMINO-N-(4-AMINO-3,4-DIOXO-1-(2-OXOPYRROLIDIN-3-YL)BUTAN-2-YL)BENZAMIDE DERIVATIVES AS PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION

  摘要：

  The present invention provides a compound of Formula I wherein R1, R2, R3, R4, R5, R6, R7, and subscripts x and n are as described herein and pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for the treatment, inhibition, or amelioration of one or more disease states that could benefit from inhibition of a coronavirus, including SARS-CoV, MERS-CoV and SARS-CoV-2. The compounds of this invention could further be used in combination with other therapeutically effective agents, including but not limited to, other drugs useful for the treatment of coronavirus infection. The invention furthermore relates to processes for preparing compounds of Formula I, and pharmaceutical compositions which comprise compounds of Formula I and pharmaceutically acceptable salts thereof.

  公开号：

  WO2024112621A1
• 作为产物：
  描述：

  5-Chloro-2-isocyanatobenzoyl chloride 、 重氮甲烷 以20%的产率得到
  参考文献：
  名称：

  MISRA, B. K.;RAO, Y. R.;MAHAPATRA, S. N., INDIAN J. CHEM., 1983, 22, N 6, 562-564

  摘要：

  DOI：

文献信息

• Misra, B. K.; Rao, Y. R.; Mahapatra, S. N., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1983, vol. 22, # 6, p. 562 - 564
  作者：Misra, B. K.、Rao, Y. R.、Mahapatra, S. N.

  DOI：——

  日期：——
• MISRA, B. K.;RAO, Y. R.;MAHAPATRA, S. N., INDIAN J. CHEM., 1983, 22, N 6, 562-564
  作者：MISRA, B. K.、RAO, Y. R.、MAHAPATRA, S. N.

  DOI：——

  日期：——
• 2-AMINO-N-(4-AMINO-3,4-DIOXO-1-(2-OXOPYRROLIDIN-3-YL)BUTAN-2-YL)BENZAMIDE DERIVATIVES AS PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION
  申请人：[en]MERCK SHARP & DOHME LLC

  公开号：WO2024112621A1

  公开（公告）日：2024-05-30

  The present invention provides a compound of Formula I wherein R1, R2, R3, R4, R5, R6, R7, and subscripts x and n are as described herein and pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for the treatment, inhibition, or amelioration of one or more disease states that could benefit from inhibition of a coronavirus, including SARS-CoV, MERS-CoV and SARS-CoV-2. The compounds of this invention could further be used in combination with other therapeutically effective agents, including but not limited to, other drugs useful for the treatment of coronavirus infection. The invention furthermore relates to processes for preparing compounds of Formula I, and pharmaceutical compositions which comprise compounds of Formula I and pharmaceutically acceptable salts thereof.

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