5,6-二溴吡啶-2-羧酸 | 29241-64-3

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 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
• 中文名称: 5,6-二溴吡啶-2-羧酸
• 中文别名: 5,6-二溴烟酸；5,6-二溴吡啶-3-羧酸
• 英文名称: 5,6-Dibromnicotinsaeure
• 英文别名: 5,6-Dibromonicotinic acid；5,6-dibromopyridine-3-carboxylic acid
• CAS: 29241-64-3
• 化学式: C₆H₃Br₂NO₂
• 分子量: 280.903
• InChiKey: ABBCIGFWDCOGEQ-UHFFFAOYSA-N

物化性质

• 沸点：
  379.5±42.0 °C(Predicted)
• 密度：
  2.202±0.06 g/cm3(Predicted)
• 溶解度：
  DMSO（少量）、甲醇（少量）

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22
• 海关编码：
  2933399090
• 危险品运输编号：
  UN 2811
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  5,6-二溴吡啶-2-羧酸 在 草酰氯 、 四甲基氟化铵 、 N,N-二异丙基乙胺 作用下， 以 乙二醇二甲醚 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.67h， 生成 tert-butyl 4-(3-bromo-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridin-2-yl)piperazine-1-carboxylate
  参考文献：
  名称：

  Small Molecule Disruptors of the Glucokinase–Glucokinase Regulatory Protein Interaction: 4. Exploration of a Novel Binding Pocket

  摘要：

  Structure-activity relationship investigations conducted at the 5-position of the N-pyridine ring of a series of N-arylsulfonyl-N'-2-pyridinyl-piperazines led to the identification of a novel bis-pyridinyl piperazine sulfonamide (51) that was a potent disruptor of the glucokinase-glucokinase regulatory protein (GK-GKRP) interaction. Analysis of the Xray cocrystal of compound 51 bound to hGKRP revealed that the 3-pyridine ring moiety occupied a previously unexplored binding pocket within the protein. Key features of this new binding mode included forming favorable contacts with the top face of the Ala27-Val28-Pro29 ("shelf region") as well as an edge-to-face interaction with the Tyr24 side chain. Compound Si was potent in both biochemical and cellular assays (IC50 = 0.005 mu M and EC50 = 0.205 mu M, respectively) and exhibited acceptable pharmacokinetic properties for in vivo evaluation. When administered to db/db mice (100 mg/kg, po), compound 51 demonstrated a robust pharmacodynamic effect and significantly reduced blood glucose levels up to 6 h postdose.

  DOI：

  10.1021/jm5001979

文献信息

• [EN] SUBSTITUTED PYRIDINE COMPOUNDS AS CRAC MODULATORS<br/>[FR] COMPOSÉS SUBSTITUÉS DE PYRIDINE EN TANT QUE MODULATEURS DE CRAC
  申请人：LUPIN LTD

  公开号：WO2013164769A1

  公开（公告）日：2013-11-07

  The present invention relates to compounds described herein Formula (I) and pharmaceutical acceptable salts thereof, which modulate the activity of calcium release- activated calcium (CRAC) channel. The invention also describes the compounds of Formula (I)and pharmaceutical compositions containing such compounds thereof for treating, managing, and/or lessening the severity of diseases, disorders, syndromes or conditions associated with the modulation of calcium release-activated calcium (CRAC) channel.

  本发明涉及式(I)描述的化合物以及其中医药可接受的盐，这些化合物能够调节钙释放激活钙(CRAC)通道的活性。该发明还描述了式(I)的化合物以及包含这些化合物的药物组合物，用于治疗、管理和/或减轻与调节钙释放激活钙(CRAC)通道相关联的疾病、障碍、综合征或状况的严重性。
• BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS
  申请人：Jeschke Peter

  公开号：US20090181947A1

  公开（公告）日：2009-07-16

  The present invention relates to novel bicyclic enamino(thio)carbonyl compounds, to processes for their preparation and to their use for controlling animal pests, especially arthropods, in particular insects.

  本发明涉及新颖的双环烯胺基(硫)酰基化合物，以及其制备方法和用于控制动物害虫，特别是节肢动物，尤其是昆虫的用途。
• SUBSTITUTED ENAMINOCARBONYL COMPOUNDS USED AS INSECTICIDES
  申请人：Jeschke Peter

  公开号：US20100240705A1

  公开（公告）日：2010-09-23

  The present application relates to novel substituted enaminocarbonyl compounds, to processes for their preparation and to their use for controlling animal pests, especially arthropods, in particular insects.

  本申请涉及新型取代烯胺羰基化合物，其制备方法以及用于控制动物害虫，特别是节肢动物，尤其是昆虫的用途。
• SUBSTITUTED ENAMINOCARBONYL COMPOUNDS
  申请人：Jeschke Peter

  公开号：US20090247551A1

  公开（公告）日：2009-10-01

  The present invention relates to novel substituted enaminocarbonyl compounds, to processes for their preparation and to their use for controlling animal pests, especially arthropods, in particular insects.

  本发明涉及新型取代烯胺羰基化合物，以及其制备方法和在控制动物害虫，特别是节肢动物，尤其是昆虫中的应用。
• N'-Cyano-N-Halogenalkylimidamide Derivatives
  申请人：Jeschke Peter

  公开号：US20100048646A1

  公开（公告）日：2010-02-25

  The present application relates to novel substituted N′-cyano-N-halogenalkylimidamide derivatives, to processes for their preparation and to their use for controlling animal pests, especially arthropods, in particular insects.

  本申请涉及新型取代N'-氰基-N-卤代烷基咪唑酰胺衍生物，以及其制备方法和用于控制动物害虫，特别是节肢动物，尤其是昆虫的用途。