N-(3-bromo-4-fluorophenyl)-2-hydroxyiminoacetamide | 1374208-40-8

• 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-(3-bromo-4-fluorophenyl)-2-hydroxyiminoacetamide
• 英文别名: N-(3-bromo-4-fluoro-phenyl)-2-hydroxyimino-acetamide
• CAS: 1374208-40-8
• 化学式: C₈H₆BrFN₂O₂
• 分子量: 261.05
• InChiKey: MOFRXRYQADCEJR-UHFFFAOYSA-N

物化性质

• 密度：
  1.71±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(3-bromo-4-fluorophenyl)-2-hydroxyiminoacetamide 在 硫酸 、 双氧水 、 sodium hydroxide 作用下， 反应 8.0h， 生成 7-bromo-6-fluoro-1H-quinazoline-2,4-dione
  参考文献：
  名称：

  Substituted Amino-Pyrimidine Derivatives

  摘要：

  本申请提供了新型的取代喹唑啉和吡啶并嘧啶化合物及其药用可接受的盐、前药和溶剂化合物。还提供了制备这些化合物的方法。通过向患者投予一种或多种化合物的治疗有效量，这些化合物在共同调节PI3K和/或mTOR活性方面是有用的。通过这样做，这些化合物在治疗与PI3K/AKT/mTOR途径失调相关的疾病方面是有效的。有利的是，这些化合物作为双重PI3K/mTOR抑制剂发挥作用。可以使用这些化合物治疗各种疾病，包括以炎症或异常细胞增殖为特征的疾病。在一个实施例中，该疾病是癌症。

  公开号：

  US20140038952A1
• 作为产物：
  描述：

  水合氯醛 、 3-溴-4-氟苯胺 在 硫酸 、 盐酸羟胺 、 sodium sulfate 作用下， 以 水 为溶剂， 反应 0.5h， 生成 N-(3-bromo-4-fluorophenyl)-2-hydroxyiminoacetamide
  参考文献：
  名称：

  用于环境稳定 n 型场效应晶体管的“构象锁定”强缺电子聚（对苯撑乙烯）衍生物：氟取代位置的合成、性质和影响

  摘要：

  p 型和双极性聚合物场效应晶体管 (FET) 的电荷载流子迁移率已得到显着提高。尽管如此，高迁移率的 n 型聚合物很少见，并且很少能在环境条件下运行。这种情况主要是由于缺电子强积木的稀缺造成的。在此，我们提出了两种新型缺电子构件，FBDOPV-1 和 FBDOPV-2，其 LUMO 水平低至 -4.38 eV。在这两个构建模块的基础上，我们开发了两种聚（对亚苯基亚乙烯基）衍生物 (PPV)，FBDPPV-1 和 FBDPPV-2，用于高性能 n 型聚合物 FET。氟原子的引入有效地降低了两种聚合物的 LUMO 能级，导致 LUMO 能级低至 -4.30 eV。氟化使两种聚合物不仅具有较低的 LUMO 水平，而且具有更有序的薄膜堆积，更小的π-π堆积距离，更强的链间相互作用和聚合物骨架的锁定构象。所有这些因素为 FBDPPV-1 提供高达 1.70 cm(2) V(-1) s(-1) 的高电

  DOI：

  10.1021/ja412533d

文献信息

• [EN] SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE QUINAZOLINE ET DE PYRIDO-PYRIMIDINE SUBSTITUÉES
  申请人：ENDO PHARMACEUTICALS INC

  公开号：WO2012058671A1

  公开（公告）日：2012-05-03

  The present application provides novel substituted quinazoline and pyrido- pyrimidine compounds and pharmaceutically acceptable salts thereof. Also provided are methods for preparing these compounds. These compounds are useful in co-regulating PI3K and/or mTOR activity by administering a therapeutically effective amount of one or more of the compounds to a patient. By doing so, these compounds are effective in treating conditions associated with the dysregulation of the PI3K/AKT/mTOR pathway. Advantageously, these compounds perform as dual PI3K/mTOR inhibitors. A variety of conditions can be treated using these compounds and include diseases which are characterized by inflammation or abnormal cellular proliferation. In one embodiment, the disease is cancer.

  本申请提供了新型的取代喹唑啉和吡啶并嘧啶化合物及其药用盐。还提供了制备这些化合物的方法。通过向患者投与一种或多种化合物的治疗有效量，这些化合物对于通过共同调节PI3K和/或mTOR活性来治疗与PI3K/AKT/mTOR通路失调相关的疾病是有效的。这些化合物具有双重PI3K/mTOR抑制剂的作用。这些化合物可用于治疗多种疾病，包括以炎症或异常细胞增殖为特征的疾病。在一个实施例中，该疾病是癌症。
• Substituted Quinazoline and Pyrido-Pyrimidine Derivatives
  申请人：Smith Roger Astbury

  公开号：US20120129851A1

  公开（公告）日：2012-05-24

  The present application provides novel substituted quinazoline and pyrido-pyrimidine compounds and pharmaceutically acceptable salts thereof. Also provided are methods for preparing these compounds. These compounds are useful in co-regulating PI3K and/or mTOR activity by administering a therapeutically effective amount of one or more of the compounds to a patient. By doing so, these compounds are effective in treating conditions associated with the dysregulation of the PI3K/AKT/mTOR pathway. Advantageously, these compounds perform as dual PI3K/mTOR inhibitors. A variety of conditions can be treated using these compounds and include diseases which are characterized by inflammation or abnormal cellular proliferation. In one embodiment, the disease is cancer.

  本申请提供了新型的取代喹唑啉和吡啶并嘧啶化合物及其药学上可接受的盐。同时还提供了制备这些化合物的方法。通过向患者投予一种或多种化合物的治疗有效剂量，这些化合物有助于共同调节PI3K和/或mTOR活性。通过这样做，这些化合物有效地治疗与PI3K/AKT/mTOR通路失调相关的疾病。优点是，这些化合物具有双重PI3K/mTOR抑制剂的作用。这些化合物可以治疗多种疾病，包括以炎症或异常细胞增殖为特征的疾病。在一种实施方式中，该疾病是癌症。
• SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES
  申请人：Asana Biosciences, LLC

  公开号：US20150011547A1

  公开（公告）日：2015-01-08

  The present application provides novel substituted quinazoline and pyrido-pyrimidine compounds and pharmaceutically acceptable salts thereof. Also provided are methods for preparing these compounds. These compounds are useful in co-regulating PI3K and/or mTOR activity by administering a therapeutically effective amount of one or more of the compounds to a patient. By doing so, these compounds are effective in treating conditions associated with the dysregulation of the PI3K/AKT/mTOR pathway. Advantageously, these compounds perform as dual PI3K/mTOR inhibitors. A variety of conditions can be treated using these compounds and include diseases which are characterized by inflammation or abnormal cellular proliferation. In one embodiment, the disease is cancer.

  本申请提供了新颖的取代喹唑啉和吡啶并嘧啶化合物及其药学上可接受的盐。还提供了制备这些化合物的方法。通过向患者投予一种或多种化合物的治疗有效量，这些化合物可用于共调节PI3K和/或mTOR活性。通过这样做，这些化合物有效地治疗与PI3K / AKT / mTOR通路失调相关的疾病。有利的是，这些化合物作为双重PI3K / mTOR抑制剂发挥作用。这些化合物可用于治疗各种疾病，包括以炎症或异常细胞增殖为特征的疾病。在一种实施方式中，该疾病是癌症。
• Substituted quinazoline and pyrido-pyrimidine derivatives
  申请人：Smith Roger Astbury

  公开号：US08440662B2

  公开（公告）日：2013-05-14

  The present application provides novel substituted quinazoline and pyrido-pyrimidine compounds and pharmaceutically acceptable salts thereof. Also provided are methods for preparing these compounds. These compounds are useful in co-regulating PI3K and/or mTOR activity by administering a therapeutically effective amount of one or more of the compounds to a patient. By doing so, these compounds are effective in treating conditions associated with the dysregulation of the PI3K/AKT/mTOR pathway. Advantageously, these compounds perform as dual PI3K/mTOR inhibitors. A variety of conditions can be treated using these compounds and include diseases which are characterized by inflammation or abnormal cellular proliferation. In one embodiment, the disease is cancer.

  本申请提供了新型的取代喹唑啉和吡啶并嘧啶化合物及其药学上可接受的盐。同时提供了制备这些化合物的方法。通过向患者投予一种或多种化合物的治疗有效量，这些化合物可用于共调节PI3K和/或mTOR活性。通过这样做，这些化合物对治疗与PI3K/AKT/mTOR通路失调相关的疾病具有有效性。有利的是，这些化合物作为双重PI3K/mTOR抑制剂发挥作用。这些化合物可用于治疗各种疾病，包括以炎症或异常细胞增殖为特征的疾病。在一种实施方式中，该疾病是癌症。
• Substituted amino-pyrimidine derivatives
  申请人：Asana Biosciences, LLC

  公开号：US09145411B2

  公开（公告）日：2015-09-29

  The present application provides novel substituted quinazoline and pyrido-pyrimidine compounds and pharmaceutically acceptable salts, prodrugs, and solvates thereof. Also provided are methods for preparing these compounds. These compounds are useful in co-regulating PI3K and/or mTOR activity by administering a therapeutically effective amount of one or more of the compounds to a patient. By doing so, these compounds are effective in treating conditions associated with the dysregulation of the PI3K/AKT/mTOR pathway. Advantageously, these compounds perform as dual PI3K/mTOR inhibitors. A variety of conditions can be treated using these compounds and include diseases which are characterized by inflammation or abnormal cellular proliferation. In one embodiment, the disease is cancer.

  本申请提供了新颖的取代喹唑啉和吡啶并嘧啶化合物及其药学上可接受的盐、前药和溶剂。还提供了制备这些化合物的方法。通过向患者投予一种或多种化合物的治疗有效量，这些化合物有助于共同调节PI3K和/或mTOR活性。通过这样做，这些化合物对治疗与PI3K/AKT/mTOR通路失调相关的疾病非常有效。有利的是，这些化合物表现为双重PI3K/mTOR抑制剂。这些化合物可以治疗各种疾病，包括以炎症或异常细胞增殖为特征的疾病。在一种实施方式中，该疾病是癌症。