tert-butyl 2-acetylthiazolidine-3-carboxylate | 1119103-02-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: tert-butyl 2-acetylthiazolidine-3-carboxylate
• 英文别名: Tert-butyl 2-acetyl-1,3-thiazolidine-3-carboxylate
• CAS: 1119103-02-4
• 化学式: C₁₀H₁₇NO₃S
• 分子量: 231.316
• InChiKey: JHXOUBMJHIRXNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  71.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-acetylthiazolidine-3-carboxylate 、 1-甲基-3,5-二硝基-2-吡啶酮 在 氨 作用下， 以 甲醇 为溶剂， 以65%的产率得到tert-butyl 2-(5-nitropyridin-2-yl)thiazolidine-3-carboxylate
  参考文献：
  名称：

  微波辅助合成新型（5-硝基吡啶-2-基）烷基和（5-硝基吡啶-3-基）烷基氨基甲酸酯

  摘要：

  在这项研究中提出了一种新颖的方法，以新颖的（5-硝基吡啶-2-基）烷基和（5-硝基吡啶-3-基）烷基氨基甲酸酯结构单元。它们的构造是通过在微波辐射下使N-氨基甲酸酯α-和β-氨基羰基衍生物与1-甲基-3,5-二硝基-2-吡啶酮1缩合而实现的。母体羰基原料性质的明智选择的修饰影响了反应的区域化学结果，并允许有效地获得新型的含氮支架。具有相同形态相似性的化合物已收集到三个在单个结构参数上彼此不同的库中。

  DOI：

  10.1021/jo802439d
• 作为产物：
  描述：

  Tert-butyl 2-[methoxy(methyl)carbamoyl]-1,3-thiazolidine-3-carboxylate 、 甲基溴化镁 以 四氢呋喃 、 乙醚 为溶剂， 生成 tert-butyl 2-acetylthiazolidine-3-carboxylate
  参考文献：
  名称：

  微波辅助合成新型（5-硝基吡啶-2-基）烷基和（5-硝基吡啶-3-基）烷基氨基甲酸酯

  摘要：

  在这项研究中提出了一种新颖的方法，以新颖的（5-硝基吡啶-2-基）烷基和（5-硝基吡啶-3-基）烷基氨基甲酸酯结构单元。它们的构造是通过在微波辐射下使N-氨基甲酸酯α-和β-氨基羰基衍生物与1-甲基-3,5-二硝基-2-吡啶酮1缩合而实现的。母体羰基原料性质的明智选择的修饰影响了反应的区域化学结果，并允许有效地获得新型的含氮支架。具有相同形态相似性的化合物已收集到三个在单个结构参数上彼此不同的库中。

  DOI：

  10.1021/jo802439d

文献信息

• Ether Compounds for Treatment of Complement Mediated Disorders
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US20150239920A1

  公开（公告）日：2015-08-27

  Compounds, methods of use, and processes for making inhibitors of complement factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof wherein R 12 or R 13 on the A group is an ether (R 32 ) are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade at an early and essential point in the alternative complement pathway, and reduce factor D's ability to modulate the classical and lectin complement pathways. The inhibitors of factor D described herein are capable of reducing the excessive activation of complement, which has been linked to certain autoimmune, inflammatory, and neurodegenerative diseases, as well as ischemia-reperfusion injury and cancer.

  提供了有关制备抑制补体因子D的化合物、使用方法和制备过程，所述化合物包括具有式I的化合物，或其药用可接受的盐或组合物，其中A组上的R12或R13是醚（R32）。本文描述的抑制剂靶向因子D并在替代性补体途径的早期和关键点上抑制或调节补体级联，并减少因子D调节经典和凝集素补体途径的能力。本文描述的因子D抑制剂能够减少过度激活的补体，这与某些自身免疫、炎症和神经退行性疾病、缺血再灌注损伤和癌症有关。
• Compounds for Treatment of Complement Mediated Disorders
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US20150239838A1

  公开（公告）日：2015-08-27

  Compounds, methods of use, and processes for making inhibitors of complement factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade at an early and essential point in the alternative complement pathway, and reduce factor D's ability to modulate the classical and lectin complement pathways. The inhibitors of factor D described herein are capable of reducing the excessive activation of complement, which has been linked to certain autoimmune, inflammatory, and neurodegenerative diseases, as well as ischemia-reperfusion injury and cancer.

  提供了包括公式I或其药学上可接受的盐或组合物的补体因子D抑制剂的化合物、使用方法和制备方法。本文所描述的抑制剂靶向因子D并在替代补体途径的早期和关键点上抑制或调节补体级联反应，并减少因子D调节经典和凝集素补体途径的能力。本文所述的因子D抑制剂能够减少补体过度激活，该过度激活已与某些自身免疫性、炎症性和神经退行性疾病以及缺血再灌注损伤和癌症有关。
• Phosphonate Compounds for Treatment of Complement Mediated Disorders
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US20150239921A1

  公开（公告）日：2015-08-27

  Compounds, methods of use, and processes for making inhibitors of complement factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof wherein R 12 or R 13 on the A group is a phosphonate (R 32 ) are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade at an early and essential point in the alternative complement pathway, and reduce factor D's ability to modulate the classical and lectin complement pathways. The inhibitors of factor D described herein are capable of reducing the excessive activation of complement, which has been linked to certain autoimmune, inflammatory, and neurodegenerative diseases, as well as ischemia-reperfusion injury and cancer.

  提供了包括式子I或其药学上可接受的盐或组合物的补体因子D抑制剂的化合物、使用方法和制备方法，其中在A基团上的R12或R13是磷酸酯（R32）。本文所述的抑制剂靶向因子D，在替代性补体途径的早期和关键点抑制或调节补体级联反应，并减少因子D调节经典和凝集素补体途径的能力。本文所述的因子D抑制剂能够减少过度激活补体，这与某些自身免疫性、炎症性和神经退行性疾病，以及缺血再灌注损伤和癌症有关。
• Amino Compounds for Treatment of Complement Mediated Disorders
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US20150239894A1

  公开（公告）日：2015-08-27

  Compounds, methods of use, and processes for making inhibitors of complement factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof, wherein R 12 or R 13 on the A group is an amino substituent (R 32 ) are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade at an early and essential point in the alternative complement pathway, and reduce factor D's ability to modulate the classical and lectin complement pathways. The inhibitors of factor D described herein are capable of reducing the excessive activation of complement, which has been linked to certain autoimmune, inflammatory, and neurodegenerative diseases, as well as ischemia-reperfusion injury and cancer.

  本文提供了公式I或其药学上可接受的盐或组合物所组成的抑制补体因子D的化合物、使用方法和制备过程，其中A组上的R12或R13是氨基取代基（R32）。所述抑制剂靶向因子D并在替代性补体途径的早期和关键点上抑制或调节补体级联反应，并减少因子D调节经典和凝集素补体途径的能力。本文所述的因子D抑制剂能够减少过度激活补体，这与某些自身免疫性、炎症性和神经退行性疾病以及缺血再灌注损伤和癌症有关。
• Alkyne Compounds for Treatment of Complement Mediated Disorders
  申请人：ACHILLION PHARMACEUTICALS, INC.

  公开号：US20150239868A1

  公开（公告）日：2015-08-27

  Compounds, methods of use, and processes for making inhibitors of complement factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof, wherein R 12 or R 13 on the A group is an alkyne (R 32 ) are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade at an early and essential point in the alternative complement pathway, and reduce factor D's ability to modulate the classical and lectin complement pathways. The inhibitors of factor D described herein are capable of reducing the excessive activation of complement, which has been linked to certain autoimmune, inflammatory, and neurodegenerative diseases, as well as ischemia-reperfusion injury and cancer.

  本文提供了包含化合物I式，或其药学上可接受的盐或组成物的补体因子D抑制剂的制备方法和使用方法，其中A组上的R12或R13是炔基（R32）。所述的抑制剂靶向因子D，并在替代补体途径的早期和关键点抑制或调节补体级联反应，并减少因子D调节经典和凝集素补体途径的能力。本文所述的因子D抑制剂能够减少过度激活补体，这与某些自身免疫性、炎症性和神经退行性疾病以及缺血再灌注损伤和癌症有关。