2-benzyl-6-hydroxy-isonicotinic acid | 92059-40-0

• 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: 2-benzyl-6-hydroxy-isonicotinic acid
• 英文别名: 2-Benzyl-6-hydroxy-isonicotinsaeure；2-benzyl-6-oxo-1H-pyridine-4-carboxylic acid
• CAS: 92059-40-0
• 化学式: C₁₃H₁₁NO₃
• 分子量: 229.235
• InChiKey: WMTHJUXFMGJKJG-UHFFFAOYSA-N

物化性质

• 沸点：
  470.8±45.0 °C(Predicted)
• 密度：
  1.331±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-benzyl-6-hydroxy-isonicotinic acid 在 ammonium hydroxide 、 palladium on activated charcoal 、 乙醇 、 五氯化磷 、 phosphorus pentoxide 、 三氯氧磷 作用下， 160.0~170.0 ℃ 、4.0 kPa 条件下， 生成 2-benzylisonicotinonitrile
  参考文献：
  名称：

  Libermann et al., Bulletin de la Societe Chimique de France, 1958, p. 687,691

  摘要：

  DOI：
• 作为产物：
  描述：

  6-benzyl-3-cyano-2-hydroxy-isonicotinic acid ethyl ester 在 硫酸 作用下， 生成 2-benzyl-6-hydroxy-isonicotinic acid
  参考文献：
  名称：

  Libermann et al., Bulletin de la Societe Chimique de France, 1958, p. 687,691

  摘要：

  DOI：

文献信息

• [EN] AMINOMETHYL QUINOLONE COMPOUNDS<br/>[FR] COMPOSÉS D'AMINOMÉTHYL-QUINOLONE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013007676A1

  公开（公告）日：2013-01-17

  The invention relates to JNK inhibitors and corresponding methods, formulations, and compositions for inhibiting JNK and treating JNK-mediated disorders. The application discloses JNK inhibitors, as described below in Formula (I): wherein the variables are as defined herein. The compounds and compositions disclosed herein are useful to modulate the activity of JNK and treat diseases associated with JNK activity. Disclosed are methods and formulations for inhibiting JNK and treating JNK-mediated disorders, and the like, with the compounds, and processes for making said compounds, and corresponding compositions, disclosed herein.

  这项发明涉及JNK抑制剂及相应的用于抑制JNK和治疗JNK介导的疾病的方法、配方和组合物。该申请披露了JNK抑制剂，如下所述的化学式(I)：其中变量如本文所定义。本文披露的化合物和组合物可用于调节JNK的活性并治疗与JNK活性相关的疾病。还披露了用于抑制JNK和治疗JNK介导的疾病等的方法和配方，以及用于制备上述化合物和相应组合物的过程。
• BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1448196A1

  公开（公告）日：2004-08-25
• AMINOMETHYL QUINOLONE COMPOUNDS
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2731932A1

  公开（公告）日：2014-05-21
• [EN] BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS<br/>[FR] DERIVES BENZOTHIAZOLE CONVENANT COMME LIGANDS DU RECEPTEUR DE L'ADENOSINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2003043634A1

  公开（公告）日：2003-05-30

  The present invention relates to compounds of the general formula (I): wherein R is phenyl, pyridin-2-yl, -C(O)-O-lower alkyl, -C(O)-lower alkyl, -C(O)-morpholinyl, -C(O)-NR'2,-(CH2)N-NR'2or -(CH2)N-O-lower alkyl and R' may be hydrogen or lower alkyl; and to pharmaceutically acceptable acid addition salts thereof. The compounds disclosed in this application have a good affinity to the A2A receptor and therefore they may be used in the control or prevention of illnesses based on the modulation of the adenosine system, such as Alzheimer's disease, Parkinson's disease, Huntington's disease, neuroprotection, schizophrenia, anxiety, pain, respiration deficits, depression, drug addiction, such as amphetamine, cocaine, opioids, ethanol, nicotine, cannabinoids, or against asthma, allergic responses, hypoxia, ischaemia, seizure and substance abuse. Furthermore, compounds of the present invention may be useful as sedatives, muscle relaxants, antipsychotics, antiepileptics, anticonvulsants and cardiaprotective agents for disorders such as coronary artery disease and heart failure.
• Libermann et al., Bulletin de la Societe Chimique de France, 1958, p. 687,691
  作者：Libermann et al.

  DOI：——

  日期：——