ethyl 2-(3-amino-5-bromopyridin-2-yl)acetate | 1379312-86-3

• 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: ethyl 2-(3-amino-5-bromopyridin-2-yl)acetate
• 英文别名: Ethyl 2-(3-amino-5-bromo-2-pyridyl)acetate
• CAS: 1379312-86-3
• 化学式: C₉H₁₁BrN₂O₂
• 分子量: 259.103
• InChiKey: DZOWBXRYWIYOBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  65.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2-(3-amino-5-bromopyridin-2-yl)acetate 在 sodium hydride 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲苯 、 mineral oil 为溶剂， 反应 5.0h， 生成 6'-bromo-2,3,5,6-tetrahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridin]-2'(1'H)-one
  参考文献：
  名称：

  Discovery and in Vivo Evaluation of Dual PI3Kβ/δ Inhibitors

  摘要：

  Structure-based rational design led to the synthesis of a novel series of potent PI3K inhibitors. The optimized pyrrolopyridine analogue 63 was a potent and selective PI3K beta/delta dual inhibitor that displayed suitable physicochemical properties and pharmacokinetic profile for animal studies. Analogue 63 was found to be efficacious in animal models of inflammation including a keyhole limpet hemocyanin (KLH) study and a collagen-induced arthritis (CIA) disease model of rheumatoid arthritis. These studies highlight the potential therapeutic value of inhibiting both the PI3K beta and delta isoforms in the treatment of a number of inflammatory diseases.

  DOI：

  10.1021/jm300679u
• 作为产物：
  描述：

  5-溴-2-氯-3-硝基吡啶 在 氢气 、 potassium carbonate 、 lithium chloride 作用下， 以 四氢呋喃 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 150.0 ℃ 、206.85 kPa 条件下， 生成 ethyl 2-(3-amino-5-bromopyridin-2-yl)acetate
  参考文献：
  名称：

  1,3-二氢-2H-吡咯并[3,2-b]吡啶-2-酮衍生 物及其医药用途

  摘要：

  本发明公开了一种1,3‑二氢‑2H‑吡咯并[3,2‑b]吡啶‑2‑酮类衍生物及其医药用途。该化合物为式I所示化合物、或其药学上可接受的盐、或其立体异构体、或其互变异构体。其中，R1～R4如说明书所定义。

  公开号：

  CN110357878B

文献信息

• [EN] HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME<br/>[FR] COMPOSÉS HÉTÉROARYLE UTILISÉS COMME INHIBITEURS DE LA NÉCROSE, COMPOSITION ET PROCÉDÉ D'UTILISATION ASSOCIÉS
  申请人：ZHANG XIAOHU

  公开号：WO2018237370A1

  公开（公告）日：2018-12-27

  The present disclosure provides heteroaryl compounds of Formula (I), processes for their preparation, pharmaceutical compositions containing them, and their use in the treatment of diseases and disorders, arising from or related to necrosis. Formula (I) is shown below:

  本公开提供了Formula (I)的杂环芳基化合物，其制备方法，含有它们的药物组合物，以及它们在治疗源自或与坏死相关的疾病和疾病中的用途。Formula (I)如下所示：
• [EN] NOVEL SUBSTITUTED PYRIMIDINE COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS DE PYRIMIDINE SUBSTITUÉS
  申请人：GRUENENTHAL GMBH

  公开号：WO2016008593A1

  公开（公告）日：2016-01-21

  The invention relates to novel substituted pyrimidine compounds of general formula (I), in which the chemical groupings, substituents, variables and indices are as defined in the description, and to their use as medicaments, in particular as medicaments for the treatment of conditions and diseases that can be treated by inhibition of the PDE4 enzyme.

  该发明涉及一种新型取代嘧啶化合物，其一般式为（I），其中化学基团、取代基、变量和指数如描述中所定义，并且其用作药物，特别是用作治疗可以通过抑制PDE4酶来治疗的疾病和病症的药物。
• Novel substituted pyrimidine compounds
  申请人：Grünenthal GmbH

  公开号：US20160016937A1

  公开（公告）日：2016-01-21

  The invention relates to novel substituted pyrimidine compounds of general formula (I) in which the chemical groupings, substituents, variables and indices are as defined in the description, and to their use as medicaments, in particular as medicaments for the treatment of conditions and diseases that can be treated by inhibition of the PDE4 enzyme.

  本发明涉及一种新颖的取代嘧啶化合物，其一般式为（I），其中化学基团，取代基，变量和指数如描述中所定义，并且它们作为药物的使用，特别是作为治疗可以通过抑制PDE4酶治疗的疾病和病症的药物。
• Substituted pyrimidine compounds
  申请人：Grünenthal GmbH

  公开号：US10189854B2

  公开（公告）日：2019-01-29

  The invention relates to novel substituted pyrimidine compounds of general formula (I) in which the chemical groupings, substituents, variables and indices are as defined in the description, and to their use as medicaments, in particular as medicaments for the treatment of conditions and diseases that can be treated by inhibition of the PDE4 enzyme.

  本发明涉及通式 (I) 的新型取代嘧啶化合物 以及它们作为药物的用途，特别是作为治疗可通过抑制 PDE4 酶来治疗的病症和疾病的药物的用途。
• Heteroaryl compounds as inhibitors of necrosis, composition and method using the same
  申请人：ACCRO BIOSCIENCE INC.

  公开号：US11339177B2

  公开（公告）日：2022-05-24

  The present disclosure provides heteroaryl compounds of Formula (I), processes for their preparation, pharmaceutical compositions containing them, and their use in the treatment of diseases and disorders, arising from or related to necrosis. Formula (I) is shown below:

  本公开提供了式(I)的杂芳基化合物、其制备工艺、含有它们的药物组合物，以及它们在治疗由坏死引起或与坏死有关的疾病和失调中的用途。式（I）如下所示：