(5,7-dimethoxybenzofuran-2-yl)methyl 1-(3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-ylcarbamate | 1254061-81-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: (5,7-dimethoxybenzofuran-2-yl)methyl 1-(3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-ylcarbamate
• 英文别名: (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
• CAS: 1254061-81-8
• 化学式: C₂₁H₂₁F₂N₃O₉
• 分子量: 497.409
• InChiKey: IJQHGGHEIBBJFE-ZTFGCOKTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  152
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  (5,7-dimethoxybenzofuran-2-yl)methyl 1-(3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-ylcarbamate 在 磷酸三甲酯 、 sodium 、 三氯氧磷 作用下， 以 水 为溶剂， 反应 4.0h， 生成 disodium ((2R,3R,5R)-5-(4-((((5,7-dimethoxybenzofuran-2-yl)methoxy)carbonyl)amino)-2-oxopyrimidin-1(2H)-yl)-4,4-difluoro-3-hydroxytetra-hydrofuran-2-yl)methyl phosphate
  参考文献：
  名称：

  [EN] SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE
  [FR] CONJUGUÉS DE MÉDICAMENTS À PETITES MOLÉCULES DE MONOPHOSPHATE DE GEMCITABINE

  摘要：

  公开号：

  WO2019152955A9
• 作为产物：
  描述：

  盐酸吉西他滨 在 吡啶 、 氟化铵 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 36.0h， 生成 (5,7-dimethoxybenzofuran-2-yl)methyl 1-(3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-ylcarbamate
  参考文献：
  名称：

  [EN] NOVEL SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE DERIVATIVES
  [FR] NOUVEAUX CONJUGUÉS DE MÉDICAMENTS À PETITES MOLÉCULES DE DÉRIVÉS DE GEMCITABINE

  摘要：

  本公开涉及具有式（I）的化合物或其药学上可接受的盐、酯、酰胺、溶剂合物或立体异构体，其中L、Y1、Y2、Y3、Y4、Y5、Z1、Z2、Z3、Z4、Z5、Z6和效应物分别如规范中定义；其组合物；其用途；以及其使用方法。

  公开号：

  WO2019152911A1

文献信息

• [EN] TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS<br/>[FR] TRAITEMENT OU PROPHYLAXIE D'ÉTATS PROLIFÉRATIFS
  申请人：UNIV DUNDEE

  公开号：WO2010125350A1

  公开（公告）日：2010-11-04

  The invention relates to novel compounds for use in the treatment or prophylaxis of cancers and other proliferative conditions that are for example characterized by cells that express cytochrome P450 1B1 (CYP1B1) and allelic variants thereof. The invention also provides pharmaceutical compositions comprising one or more such compounds for use in medical therapy, for example in the treatment of prophylaxis of cancers or other proliferative conditions, as well as methods for treating cancers or other conditions in human or non-human animal patients. The invention also provides methods for identifying novel compounds for use in the treatment of prophylaxis of cancers and other proliferative conditions that are for example characterized by cells that express CYP1 B1 and allelic variants thereof. The invention also provides a method for determining the efficacy of a compound of the invention in treating cancer.

  该发明涉及用于治疗或预防癌症和其他增殖性疾病的新化合物，例如这些疾病的特征是细胞表达细胞色素P450 1B1（CYP1B1）及其等位基因变体。该发明还提供包含一种或多种此类化合物的药物组合物，用于医学治疗，例如用于治疗或预防癌症或其他增殖性疾病，以及用于治疗人类或非人类动物患者的癌症或其他疾病的方法。该发明还提供用于识别用于治疗或预防癌症和其他增殖性疾病的新化合物的方法，例如这些疾病的特征是细胞表达CYP1B1及其等位基因变体。该发明还提供一种用于确定该发明中化合物治疗癌症的疗效的方法。
• TREATMENT OR PROPHYLAXIS OF PROLIFERATIVE CONDITIONS
  申请人：University Court of the University of Dundee

  公开号：US20150011512A1

  公开（公告）日：2015-01-08

  The invention relates to novel compounds for use in the treatment or prophylaxis of cancers and other proliferative conditions that are for example characterized by cells that express cytochrome P450 1B1 (CYP1B1) and allelic variants thereof. The invention also provides pharmaceutical compositions comprising one or more such compounds for use in medical therapy, for example in the treatment of prophylaxis of cancers or other proliferative conditions, as well as methods for treating cancers or other conditions in human or non-human animal patients. The invention also provides methods for identifying novel compounds for use in the treatment of prophylaxis of cancers and other proliferative conditions that are for example characterized by cells that express CYP1 B1 and allelic variants thereof. The invention also provides a method for determining the efficacy of a compound of the invention in treating cancer.

  该发明涉及新型化合物，用于治疗或预防癌症和其他增生性疾病，例如其细胞表达细胞色素P450 1B1（CYP1B1）及其等位基因变体。该发明还提供了包含一种或多种此类化合物的药物组合物，用于医疗治疗，例如用于治疗或预防癌症或其他增生性疾病，以及用于治疗人类或非人类动物患者的癌症或其他疾病的方法。该发明还提供了用于识别用于治疗或预防表达CYP1B1及其等位基因变体的细胞的癌症和其他增生性疾病的新型化合物的方法。该发明还提供了一种确定该发明中化合物在治疗癌症方面的功效的方法。
• SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE
  申请人：MaveriX Oncology, Inc.

  公开号：US20210040136A1

  公开（公告）日：2021-02-11

  Disclosed are compounds having formula (I): or a pharmaceutically acceptable salt, ester, amide, solvate, or stereoisomer thereof, wherein L, Y 1 , Y 2 , Y 3 , Y 4 , Y 5 , Z 1 , Z 2 , Z 3 , Z 4 , Z 5 , Z 6 are each as defined in the specification; compositions thereof; uses thereof; and methods of use thereof.
• NOVEL SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE DERIVATIVES
  申请人：MaveriX Oncology, Inc.

  公开号：US20210380626A1

  公开（公告）日：2021-12-09

  Disclosed are compounds having formula (I): or a pharmaceutically acceptable salt, ester, amide, solvate, or stereoisomer thereof, wherein L, Y 1 , Y 2 , Y 3 , Y 4 , Y 5 , Z 1 , Z 2 , Z 3 , Z 4 , Z 5 , Z 6 , and Effector are each as defined in the specification; compositions thereof; uses thereof; and methods of use thereof.
• US9919060B2
  申请人：——

  公开号：US9919060B2

  公开（公告）日：2018-03-20