(S)-2-((tert-butoxycarbonyl)amino)-3-(2-oxopyrrolidin-1-yl)propanoic acid | 1629681-12-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-2-((tert-butoxycarbonyl)amino)-3-(2-oxopyrrolidin-1-yl)propanoic acid
• 英文别名: (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(2-oxopyrrolidin-1-yl)propanoicacid；(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-1-yl)propanoic acid
• CAS: 1629681-12-4
• 化学式: C₁₂H₂₀N₂O₅
• 分子量: 272.301
• InChiKey: CNPZXKIQKHKDHD-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  95.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-2-((tert-butoxycarbonyl)amino)-3-(2-oxopyrrolidin-1-yl)propanoic acid 在 4-二甲氨基吡啶 、 臭氧 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.75h， 生成
  参考文献：
  名称：

  [EN] CELL-PERMEANT INHIBITORS OF VIRAL CYSTEINE PROTEASES
  [FR] INHIBITEURS PERMÉANTS CELLULAIRES DE CYSTÉINE PROTÉASES VIRALES

  摘要：

  Provided are protease inhibitor compounds that find use in treating or preventing coronavirus disease. In some embodiments, the coronavirus disease is COVID-19. Also provided are compositions and kits comprising the compounds, as well methods of using the compounds to treat or prevent coronavirus disease. Also provided are methods for reporting coronaviral protease inhibition.

  公开号：

  WO2023114516A2
• 作为产物：
  描述：

  methyl (S)-2-((tert-butoxycarbonyl)amino)-3-(2-oxopyrrolidin-1-yl)propanoate 在 水 、 lithium hydroxide 作用下， 以 甲醇 为溶剂， 以45 %的产率得到(S)-2-((tert-butoxycarbonyl)amino)-3-(2-oxopyrrolidin-1-yl)propanoic acid
  参考文献：
  名称：

  [EN] CELL-PERMEANT INHIBITORS OF VIRAL CYSTEINE PROTEASES
  [FR] INHIBITEURS PERMÉANTS CELLULAIRES DE CYSTÉINE PROTÉASES VIRALES

  摘要：

  Provided are protease inhibitor compounds that find use in treating or preventing coronavirus disease. In some embodiments, the coronavirus disease is COVID-19. Also provided are compositions and kits comprising the compounds, as well methods of using the compounds to treat or prevent coronavirus disease. Also provided are methods for reporting coronaviral protease inhibition.

  公开号：

  WO2023114516A2

文献信息

• [EN] TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE TRIPEPTIDE ÉPOXY CÉTONE PROTÉASE
  申请人：ONYX THERAPEUTICS INC

  公开号：WO2014152134A1

  公开（公告）日：2014-09-25

  Provided herein are tripeptide epoxy ketone protease inhibitors, methods of their preparation, related pharmaceutical compositions, and methods of using the same. For example, provided herein are compounds of Formula (X): and pharmaceutically acceptable salts and compositions including the same. The compounds and compositions provided herein may be used, for example, in the treatment of diseases including inflammation and neurodegenerative disease.

  本文提供了三肽环氧酮蛋白酶抑制剂，它们的制备方法，相关的药物组合物，以及使用它们的方法。例如，本文提供了式（X）的化合物：以及包括它们的药物可接受的盐和组合物。本文提供的化合物和组合物可以用于治疗炎症和神经退行性疾病等疾病。
• TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS
  申请人：Onyx Therapeutics, Inc.

  公开号：US20140336106A1

  公开（公告）日：2014-11-13

  Provided herein are tripeptide epoxy ketone protease inhibitors, methods of their preparation, related pharmaceutical compositions, and methods of using the same. For example, provided herein are compounds of Formula (X): and pharmaceutically acceptable salts and compositions including the same. The compounds and compositions provided herein may be used, for example, in the treatment of diseases including inflammation and neurodegenerative disease.

  本文提供了三肽环氧酮蛋白酶抑制剂及其制备方法、相关药物组合物和使用方法。例如，本文提供了式（X）的化合物及其药物可接受的盐和组合物。本文提供的化合物和组合物可以用于治疗包括炎症和神经退行性疾病在内的疾病。
• NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：EP4001279A1

  公开（公告）日：2022-05-25

  The present invention discloses compounds of Formula (Ia), and pharmaceutically acceptable salts, thereof: which inhibit coronavirus replication activity. The invention further relates to pharmaceutical compositions comprising a compound of Formula (Ia) or a pharmaceutically acceptable salt thereof, and methods of treating or preventing a coronavirus infection in a subject in need thereof, comprising administering to the subject a therapeutically effective amount of a compound of Formula (Ia) or a pharmaceutically acceptable salt thereof.

  本发明公开了式（Ia）化合物及其药学上可接受的盐类： 其可抑制冠状病毒的复制活性。本发明进一步涉及包含式（Ia）化合物或其药学上可接受的盐的药物组合物，以及治疗或预防有需要的受试者冠状病毒感染的方法，包括向受试者施用治疗有效量的式（Ia）化合物或其药学上可接受的盐。
• Tripeptide epoxy ketone protease inhibitors
  申请人：Onyx Therapeutics, Inc.

  公开号：US10647744B2

  公开（公告）日：2020-05-12

  Provided herein are tripeptide epoxy ketone protease inhibitors, methods of their preparation, related pharmaceutical compositions, and methods of using the same. For example, provided herein are compounds of Formula (X): and pharmaceutically acceptable salts and compositions including the same. The compounds and compositions provided herein may be used, for example, in the treatment of diseases including inflammation and neurodegenerative disease.

  本文提供了三肽环氧酮蛋白酶抑制剂、其制备方法、相关药物组合物以及使用方法。例如，本文提供了式 (X) 的化合物： 和药学上可接受的盐以及包括它们的组合物。本文提供的化合物和组合物可用于治疗包括炎症和神经退行性疾病在内的各种疾病。
• US9434761B2
  申请人：——

  公开号：US9434761B2

  公开（公告）日：2016-09-06