5-溴-6-甲基-2-吡啶羧酸乙酯 | 1122090-71-4

• 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-溴-6-甲基-2-吡啶羧酸乙酯
• 英文名称: ethyl 5-bromo-6-methylpicolinate
• 英文别名: ethyl 5-bromo-6-methylpyridine-2-carboxylate；ethyl 5-bromo-6-methyl-2-pyridinecarboxylate；5-bromo-6-methyl-pyridine-2-carboxylic acid ethyl ester
• CAS: 1122090-71-4
• 化学式: C₉H₁₀BrNO₂
• 分子量: 244.088
• InChiKey: INNGXOYMUZLIHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  5-溴-6-甲基-2-吡啶羧酸乙酯 在 二异丁基氢化铝 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 以96%的产率得到(5-溴-6-甲基-2-吡啶基)甲醇
  参考文献：
  名称：

  Compounds

  摘要：

  公式（I）的化合物， 包含它们的组合物，它们在治疗中的使用，包括它们作为抗菌剂的使用，例如在结核病治疗中的使用，以及制备这类化合物的方法，均已提供。

  公开号：

  EP2080761A1
• 作为产物：
  描述：

  3-bromo-2-methyl-6-vinylpyridine 在 potassium permanganate 、 硫酸 作用下， 以 水 、 丙酮 为溶剂， 反应 90.0h， 生成 5-溴-6-甲基-2-吡啶羧酸乙酯
  参考文献：
  名称：

  Novel S1P₁ Receptor Agonists − Part 3: From Thiophenes to Pyridines

  摘要：

  In preceding communications we summarized our medicinal chemistry efforts leading to the identification of potent, selective, and orally active S1P(1) agonists such as the thiophene derivative 1. As a continuation of these efforts, we replaced the thiophene in 1 by a 2-, 3-, or 4-pyridine and obtained less lipophilic, potent, and selective S1P(1) agonists (e.g., 2) efficiently reducing blood lymphocyte count in the rat. Structural features influencing the compounds' receptor affinity profile and pharmacokinetics are discussed. In addition, the ability to penetrate brain tissue has been studied for several compounds. As a typical example for these pyridine based S1P(1) agonists, compound 53 showed EC50 values of 0.6 and 352 nM for the S1P(1), and S1P(3) receptor, respectively, displayed favorable PK properties, and penetrated well into brain tissue. In the rat, compound 53 maximally reduced the blood lymphocyte count for at least 24 h after oral dosing of 3 mg/kg.

  DOI：

  10.1021/jm4014696

文献信息

• NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES
  申请人：Bolli Martin

  公开号：US20110046170A1

  公开（公告）日：2011-02-24

  The invention relates to novel pyrimidine-pyridine derivatives, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents.

  本发明涉及新颖的嘧啶-吡啶衍生物、其制备方法及其作为药理活性化合物的应用。这些化合物特别作为免疫调节剂发挥作用。
• PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS
  申请人：Bolli Martin

  公开号：US20110212998A1

  公开（公告）日：2011-09-01

  The invention relates to novel pyridine derivatives of formula (D, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents. Formula (I) wherein A represents and the other substituents are as defined in the claims.

  本发明涉及式（D）的新吡啶衍生物、它们的制备方法以及它们作为药物活性化合物的用途。所述化合物特别是作为免疫调节剂发挥作用。式（I）中，A代表，其他取代基如权利要求中所定义。
• [EN] NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE PYRIMIDINE-PYRIDINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2009109907A1

  公开（公告）日：2009-09-11

  The invention relates to novel pyrimidine-pyridine derivatives, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents. Formula I.

  本发明涉及新颖的嘧啶-吡啶衍生物、其制备方法及其作为药理活性化合物的应用。所述化合物特别作为免疫调节剂发挥作用。式I。
• [EN] PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS DE PYRIDINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2009024905A1

  公开（公告）日：2009-02-26

  The invention relates to novel pyridine derivatives of formula (I), their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunomodulating agents. Formula (I) wherein A represents and the other substituants are as defined in the claims.

  该发明涉及公式（I）的新型吡啶衍生物，其制备以及作为药用活性化合物的用途。所述化合物特别作为免疫调节剂。公式（I）中A代表，其他取代基如索引中定义。
• NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS
  申请人：ALEMPARTE-GALLARDO Carlos

  公开号：US20110319424A1

  公开（公告）日：2011-12-29

  Compounds of Formula (I), wherein substituents R 1 , R 2 and R 5 are as defined, and Ar represents substituted phenyl, pyridyl, pyridazinyl, pyrimidinyl, pyrazinyl, thiazolyl, furanyl, imidazolyl and thiophenyl; compositions containing them, their use in therapy, including their use as antibacterials, for example in the treatment of tuberculosis, and methods for the preparation of such compounds, are provided.

  本发明提供了化学式(I)的化合物，其中取代基R1、R2和R5如定义所述，Ar代表取代的苯基、吡啶基、吡嗪基、嘧啶基、吡咯嗪基、噻唑基、呋喃基、咪唑基和噻吩基；含有它们的组合物，它们在治疗中的使用，包括它们作为抗菌剂的使用，例如在结核病的治疗中，以及制备这种化合物的方法。