acetic acid 4-bromo-3,5-dimethyl-pyridin-2-ylmethyl ester | 848694-12-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: acetic acid 4-bromo-3,5-dimethyl-pyridin-2-ylmethyl ester
• 英文别名: (4-bromo-3,5-dimethylpyridin-2-yl)methyl acetate
• CAS: 848694-12-2
• 化学式: C₁₀H₁₂BrNO₂
• 分子量: 258.115
• InChiKey: BVGANMMUSYUPFY-UHFFFAOYSA-N

物化性质

• 沸点：
  317.7±37.0 °C(Predicted)
• 密度：
  1.401±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  acetic acid 4-bromo-3,5-dimethyl-pyridin-2-ylmethyl ester 在 甲醇 、 potassium carbonate 作用下， 反应 0.25h， 以88%的产率得到4-bromo-3,5-dimethyl-pyridin-2-ylmethanol
  参考文献：
  名称：

  [EN] NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS
  [FR] NOUVEAUX COMPOSES HETEROCYCLIQUES UTILISES EN TANT QU'INHIBITEURS DE LA PROTEINE HSP90

  摘要：

  公开号：

  WO2005028434A3
• 作为产物：
  描述：

  3,5-二甲基-4-硝基吡啶-2-甲醇 、 乙酰溴 在 sodium carbonate 作用下， 反应 2.0h， 以82%的产率得到acetic acid 4-bromo-3,5-dimethyl-pyridin-2-ylmethyl ester
  参考文献：
  名称：

  [EN] CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE
  [FR] CERTAINES PYRIMIDINES SUBSTITUÉES, LEURS COMPOSITIONS PHARMACEUTIQUES ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  提供了某些Hsp90抑制剂，即Formula I的化合物及其药用盐、药物组合物以及它们的使用和制备方法。

  公开号：

  WO2010117425A1

文献信息

• 2-Aminopurine analogs having HSP90-inhibiting activity
  申请人：Kasibhatla Rao Srinivas

  公开号：US20050113340A1

  公开（公告）日：2005-05-26

  2-Aminopurine analogs are described and demonstrated or predicted to have utility as Heat Shock Protein 90 (HSP90) inhibiting agents in the treatment and prevention of various HSP90 mediated disorders, e.g., proliferative disorders. Method of synthesis and use of such compounds are also described and claimed.

  本文描述了2-氨基嘌呤类似物，并展示或预测其作为热休克蛋白90（HSP90）抑制剂，在治疗和预防各种HSP90介导的疾病，例如增殖性疾病方面具有实用性。还描述和声明了这些化合物的合成方法和使用方法。
• Pyrrolopyrimidines and related analogs as HSP90-inhibitors
  申请人：Kasibhatla R. Srinivas

  公开号：US20050107343A1

  公开（公告）日：2005-05-19

  Pyrrolopyrimidines and related analogs are described and demonstrated to have utility as Heat Shock Protein 90 (HSP90) inhibiting agents used in the treatment and prevention of various HSP90 mediated disorders, e.g., proliferative disorders. Methods of synthesis and use of such compounds are also described and claimed.

  本文描述了吡咯并嘧啶及其相关类似物作为热休克蛋白90（HSP90）抑制剂在治疗和预防各种HSP90介导的疾病，例如增生性疾病方面的用途。同时还描述和声明了这些化合物的合成和使用方法。
• Pyrazolopyrimidines and related analogs as HSP90-inhibitors
  申请人：Kasibhatla Rao Srinivas

  公开号：US20050119282A1

  公开（公告）日：2005-06-02

  Pyrazolopyrimidines and related analogs are described and demonstrated or predicted to have utility as Heat Shock Protein 90 (HSP90) inhibiting agents in the treatment and prevention of various HSP90 mediated disorders, e.g., proliferative disorders. Method of synthesis and use of such compounds are also described and claimed.

  本文描述了吡唑吡咯啉和相关类似物，证明或预测其在治疗和预防各种HSP90介导的疾病，例如增生性疾病中作为HSP90抑制剂的效用。同时还描述和声明了这些化合物的合成方法和用途。
• Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade
  申请人：South S. Michael

  公开号：US20050043313A1

  公开（公告）日：2005-02-24

  The invention relates to substituted polycyclic aryl and heteroaryl pyrazinone compounds useful as inhibitors of serine proteases of the coagulation cascade and compounds, compositions and methods for anticoagulant therapy for the treatment and prevention of a variety of thrombotic conditions including coronary artery and cerebrovascular diseases.

  本发明涉及用作凝血级联反应中丝氨酸蛋白酶抑制剂的取代多环芳基和杂环芳基吡唑酮化合物，以及用于治疗和预防多种血栓性疾病（包括冠状动脉和脑血管疾病）的化合物、组合物和抗凝治疗方法。
• Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors
  申请人：Kasibhatla R. Srinivas

  公开号：US20070173483A1

  公开（公告）日：2007-07-26

  Pyrrolopyrimidines and related analogs are described and demonstrated to have utility as Heat Shock Protein 90 (HSP90) inhibiting agents used in the treatment and prevention of various HSP90 mediated disorders, e.g., proliferative disorders. Methods of synthesis and use of such compounds are also described and claimed.

  本文描述并证明吡咯并嘧啶及相关类似物作为热休克蛋白90（HSP90）抑制剂在治疗和预防各种HSP90介导的疾病中具有效用，例如增殖性疾病。本文还描述和声明了这些化合物的合成和使用方法。