5-chloroisatoic acid 2-isopropyl ester | 87324-40-1

• 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: 5-chloroisatoic acid 2-isopropyl ester
• 英文别名: i-Propyl-5-chlorisothoat；5-Chloro-2-(propan-2-yloxycarbonylamino)benzoic acid
• CAS: 87324-40-1
• 化学式: C₁₁H₁₂ClNO₄
• 分子量: 257.674
• InChiKey: GEPLYGAVQLIPDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 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：

  5-chloroisatoic acid 2-isopropyl ester 、 (3S)-3-amino-N-cyclopropyl-2-hydroxy-4-((3R,5R)-5-methyl-2-oxopyrrolidin-3-yl)butanamide 在 N,N-二异丙基乙胺 、 (1,2,3-benzotriazol-1-yloxy)tris(dimethylamino)phosphanium hexafluoro-lambda5-phosphanuide 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成 isopropyl (4-chloro-2-(((2S)-4-(cyclopropylamino)-3-hydroxy-1-((3S,5R)-5-methyl-2-oxopyrrolidin-3-yl)-4-oxobutan-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：

  2-氨基-5-氯苯甲酸甲酯 在 水 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 N-甲基吡咯烷酮 、 甲醇 为溶剂， 生成 5-chloroisatoic acid 2-isopropyl ester
  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

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：——
• HEYMANN D. A., J. HETEROCYCL. CHEM., 1978, 15, NO 7, 1131-1136
  作者：HEYMANN D. A.

  DOI：——

  日期：——