2,6-二甲氧基-4-吡啶羧酸甲酯 | 52606-00-5

• 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: 2,6-二甲氧基-4-吡啶羧酸甲酯
• 英文名称: methyl 2,6-dimethoxyisonicotinate
• 英文别名: methyl 2,6-dimethoxypyridine-4-carboxylate
• CAS: 52606-00-5
• 化学式: C₉H₁₁NO₄
• 分子量: 197.191
• InChiKey: PNMCGZODGMPBCW-UHFFFAOYSA-N

物化性质

• 熔点：
  68-69 °C
• 沸点：
  271.3±35.0 °C(Predicted)
• 密度：
  1.169±0.06 g/cm3(Predicted)
• 溶解度：
  3 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 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：
  57.6
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2,6-二甲氧基-4-吡啶羧酸甲酯 在 sodium tetrahydroborate 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 以686 mg的产率得到(2,6-dimethoxypyridin-4-yl)methanol
  参考文献：
  名称：

  Selective photosensitization through an AND logic response: optimization of the pH and glutathione response of activatable photosensitizers

  摘要：

  一个分子AND逻辑门，即一种可激活的光敏剂，需要超过阈值的酸性（pH）和GSH才能发挥全部活性。

  DOI：

  10.1039/c5cc01261a
• 作为产物：
  描述：

  2,6-二氯异烟酸 在 硫酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 13.0h， 生成 2,6-二甲氧基-4-吡啶羧酸甲酯
  参考文献：
  名称：

  Selective photosensitization through an AND logic response: optimization of the pH and glutathione response of activatable photosensitizers

  摘要：

  一个分子AND逻辑门，即一种可激活的光敏剂，需要超过阈值的酸性（pH）和GSH才能发挥全部活性。

  DOI：

  10.1039/c5cc01261a

文献信息

• [EN] ANTIBACTERIAL COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS ANTIBACTÉRIENS ET PROCÉDÉS D'UTILISATION
  申请人：UNIV MONASH

  公开号：WO2020047596A1

  公开（公告）日：2020-03-12

  The present invention generally relates to pyridine derivatives of formula (I) with antibacterial activity, especially anti-tuberculosis activity, and pharmaceutical compositions containing them. Methods of using the compounds to treat bacterial infections, especially tuberculosis infections, are also described.

  本发明一般涉及具有抗菌活性，特别是抗结核活性的式（I）的吡啶衍生物，以及含有它们的药物组合物。还描述了使用这些化合物治疗细菌感染，特别是结核病感染的方法。
• CO-CRYSTALS AND SALTS OF CCR3-INHIBITORS
  申请人：Frank Markus

  公开号：US20120264729A1

  公开（公告）日：2012-10-18

  This invention relates to co-crystals and salts of CCR3 inhibitors of formula 1, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of diseases related with the CCR3-receptor.

  本发明涉及公式1的CCR3抑制剂的共晶体和盐，包含相同物质的药物组合物，以及将其用作治疗和/或预防与CCR3受体相关疾病的药剂的方法。
• Thermal Behavior Analysis of Two Synthesized Flavor Precursors of <i>N</i> ‐alkylpyrrole Derivatives
  作者：Lvye Ai、Mengzhen Liu、Xiaoming Ji、Miao Lai、Mingqin Zhao、Tianbao Ren

  DOI：10.1002/jhet.3626

  日期：2019.9

  of NBMF and NUMF appear at 310 and 268°C, respectively. The largest peaks of NBMF and NUMF showed by the differential scanning calorimeter curve were 315 and 274°C, respectively. Pyrolysis–gas chromatography/mass spectrometry detected small molecule fragrance compounds appeared during thermal degradation, such as 2‐methylpyrrole, 1‐methylpyrrole‐2‐carboxylic acid methyl ester, limonene, and methyl

  为了扩展含吡咯的风味剂前体的库，提供了两种新的风味剂前体-甲基N-苄基-2-甲基-5-甲酰基吡咯-3-羧酸盐（NBMF）和甲基N-2-丁基-2-甲基-5-甲酰基吡咯-3-羧酸酯（NUMF）是通过环化，氧化和烷基化反应合成的。利用热重分析（TG），差示扫描量热仪和热解气相色谱/质谱法分析了NBMF和NUMF的热降解行为和热降解产物。TG-DTG曲线表明，NBMF和NUMF的最大质量损失率分别出现在310和268°C。差示扫描量热法曲线显示的NBMF和NUMF的最大峰分别为315和274℃。热解-气相色谱/质谱法检测到在热降解过程中出现了小分子芳香化合物，例如2-甲基吡咯，1-甲基吡咯-2-羧酸甲酯，柠檬烯和甲酸甲酯。最后，
• Discovery of Anti‐tubercular Analogues of Bedaquiline with Modified A‐, B‐ and C‐Ring Subunits
  作者：Lisa Barbaro、Gayathri Nagalingam、James A. Triccas、Lendl Tan、Nicholas P. West、Daniel L. Priebbenow、Jonathan B. Baell

  DOI：10.1002/cmdc.202200533

  日期：2023.1.3

  AbstractTo date, the clinical use of the anti‐tubercular therapy bedaquiline has been somewhat limited due to safety concerns. Recent investigations determined that modification of the B‐ and C‐ring units of bedaquiline delivered new diarylquinolines (for example TBAJ‐587) with potent anti‐tubercular activity yet an improved safety profile due to reduced affinity for the hERG channel. Building on our recent discovery that substitution of the quinoline motif (the A‐ring subunit) for C5‐aryl pyridine groups within bedaquiline analogues led to retention of anti‐tubercular activity, we investigated the concurrent modification of A‐, B‐ and C‐ring units within bedaquiline variants. This led to the discovery that 4‐trifluoromethoxyphenyl and 4‐chlorophenyl pyridyl analogues of TBAJ‐587 retained relatively potent anti‐tubercular activity and for the 4‐chlorophenyl derivative in particular, a significant reduction in hERG inhibition relative to bedaquiline was achieved, demonstrating that modifications of the A‐, B‐ and C‐ring units within the bedaquiline structure is a viable strategy for the design of effective, yet safer (and less lipophilic) anti‐tubercular compounds.
• Selective photosensitization through an AND logic response: optimization of the pH and glutathione response of activatable photosensitizers
  作者：Sundus Erbas-Cakmak、Fatma Pir Cakmak、Seda Demirel Topel、Taha Bilal Uyar、Engin U. Akkaya

  DOI：10.1039/c5cc01261a

  日期：——

  A molecular AND logic gate, which is an activatable photosensitizer, requires above-threshold values of acidity (pH) and GSH for full activity.

  一个分子AND逻辑门，即一种可激活的光敏剂，需要超过阈值的酸性（pH）和GSH才能发挥全部活性。