4-((6-methylpyridin-3-yl)oxy)benzaldehyde | 87626-33-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-((6-methylpyridin-3-yl)oxy)benzaldehyde
• 英文别名: 4-(2-methyl-5-pyridyloxy)benzaldehyde；4-(6-methylpyridin-3-yl)oxybenzaldehyde
• CAS: 87626-33-3
• 化学式: C₁₃H₁₁NO₂
• 分子量: 213.236
• InChiKey: LUISFWXSPWTVBC-UHFFFAOYSA-N

物化性质

• 沸点：
  345.6±32.0 °C(Predicted)
• 密度：
  1.176±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 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：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-((6-methylpyridin-3-yl)oxy)benzaldehyde 在 N-羟基-7-氮杂苯并三氮唑 、 盐酸羟胺 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.25h， 生成 4-chloro-1-methyl-N-(4-((6-methylpyridin-3-yl)oxy)benzyl)-1H-pyrazole-5-carboxamide
  参考文献：
  名称：

  Structure–Activity Relationship Studies of Tolfenpyrad Reveal Subnanomolar Inhibitors ofHaemonchus contortusDevelopment

  摘要：

  Recently, we have discovered that the registered pesticide, tolfenpyrad, unexpectedly and potently inhibits the development of the L4 larval stage of the parasitic nematode Haemonchus contortus with an IC50 value of 0.03 mu M while displaying good selectivity, with an IC50 of 37.9 mu M for cytotoxicity. As a promising molecular template for medicinal chemistry optimization, we undertook anthelmintic structure-activity relationships for this chemical. Modifications of the left-hand side (LHS), right-hand side (RHS), and middle section of the scaffold were explored to produce a set of 57 analogues. Analogues 25, 29, and 33 were shown to be the most potent compounds of the series, with IC50 values at a subnanomolar level of potency against the chemotherapeutically relevant fourth larval (L4) stage of H. contortus. Selected compounds from the series also showed promising activity against a panel of other different parasitic nematodes, such as hookworms and whipworms.

  DOI：

  10.1021/acs.jmedchem.8b01789
• 作为产物：
  描述：

  3-羟基-6-甲基吡啶 、 4-氯苯甲醛 在 盐酸 、 sodium hydroxide 、 sodium carbonate 、 potassium carbonate 作用下， 以 N-甲基乙酰胺 、 乙醚 、 水 为溶剂， 以35%的产率得到4-((6-methylpyridin-3-yl)oxy)benzaldehyde
  参考文献：
  名称：

  Certain pyridyloxy-or-thio-phenyl propenoic acid derivatives

  摘要：

  本发明揭示了新型吡啶化合物及其药学上可接受的盐，它们在哺乳动物中具有特定的抑制血栓素A.sub.2生物合成的活性，对于预防和治疗由血栓素A.sub.2引起的各种疾病非常有用，例如血栓形成，心肌梗塞，糖尿病血管并发症，哮喘等。

  公开号：

  US04496735A1

文献信息

• COMPOUNDS
  申请人：JIN Yun

  公开号：US20120142717A1

  公开（公告）日：2012-06-07

  The present invention relates to novel compounds that inhibit Lp-PLA 2 activity, processes for their preparation, to compositions containing them and to their use in the treatment of diseases associated with the activity of Lp-PLA 2 , for example atherosclerosis, Alzheimer's disease, and/or diabetic macular edema.

  本发明涉及一种新型化合物，其抑制Lp-PLA2活性，制备这些化合物的方法，含有它们的组合物以及它们在治疗与Lp-PLA2活性相关的疾病中的应用，例如动脉粥样硬化，阿尔茨海默病和/或糖尿病黄斑水肿。
• PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2
  申请人：Jin Yun

  公开号：US20130252963A1

  公开（公告）日：2013-09-26

  The present invention relates to novel compounds that inhibit Lp-PLA 2 activity, processes for their preparation, to compositions containing them and to their use in the treatment of diseases associated with the activity of Lp-PLA 2 , or example atherosclerosis, Alzheimer's disease, and/or diabetic macular edema.

  本发明涉及一种新的化合物，其抑制Lp-PLA2活性，其制备过程，包含它们的组合物以及它们在治疗与Lp-PLA2活性相关的疾病中的应用，例如动脉粥样硬化，阿尔茨海默病和/或糖尿病黄斑水肿。
• PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND
  申请人：TAISHO PHARMACEUTICAL CO., LTD

  公开号：US20150175541A1

  公开（公告）日：2015-06-25

  There are provided compounds having a superior PHD2 inhibitory effect that are represented by general formula (I′): (in the above-mentioned general formula (I′), W, Y, R 2 , R 3 , R 4 , and Y 4 are as described hereinabove), or pharmaceutically acceptable salts thereof.

  提供了一些化合物，具有优越的PHD2抑制作用，其通式表示为(I'):(在上述通式(I')中，W、Y、R2、R3、R4和Y4如上所述)，或其药学上可接受的盐。
• PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2
  申请人：GLAXO GROUP LIMITED

  公开号：US20150099756A1

  公开（公告）日：2015-04-09

  The present invention relates to novel compounds that inhibit Lp-PLA 2 activity, processes for their preparation, to compositions containing them and to their use in the treatment of diseases associated with the activity of Lp-PLA 2 , for example atherosclerosis, Alzheimer's disease, and/or diabetic macular edema.

  本发明涉及一种新型化合物，可以抑制Lp-PLA2活性，包括制备这种化合物的过程，含有这种化合物的组合物以及将其用于治疗与Lp-PLA2活性相关的疾病，例如动脉粥样硬化、阿尔茨海默病和/或糖尿病黄斑水肿。
• OHNO, SACHIO;MIZUKOSHI, KIYOSHI;KOMATSU, OSAMU;NAGASAKA, MITSUAKI;NAKAMUR+
  作者：OHNO, SACHIO、MIZUKOSHI, KIYOSHI、KOMATSU, OSAMU、NAGASAKA, MITSUAKI、NAKAMUR+

  DOI：——

  日期：——