4-ethyl-2-hydroxybenzonitrile | 862088-20-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-ethyl-2-hydroxybenzonitrile
• CAS: 862088-20-8
• 化学式: C₉H₉NO
• mdl: MFCD09263970
• 分子量: 147.177
• InChiKey: WOZVPMDTZPJZAR-UHFFFAOYSA-N

物化性质

• 沸点：
  293.5±33.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-ethyl-2-hydroxybenzonitrile 在 potassium tert-butylate 、 三氯氧磷 作用下， 以 四氢呋喃 、 环丁砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 生成 6-chloro-11-ethyl-4-(trifluoromethyl)-8-oxa-3,5-diazatricyclo[7.4.0.0^2,7]trideca-1(13),2,4,6,9,11-hexaene
  参考文献：
  名称：

  [EN] PYRIDINE DERIVATIVES WITH N-LINKED CYCLIC SUBSTITUENTS AS CGAS INHIBITORS
  [FR] DÉRIVÉS DE PYRIDINE AYANT DES SUBSTITUANTS CYCLIQUES À LIAISON N EN TANT QU'INHIBITEURS DE CGAS

  摘要：

  The invention relates to new proline derivatives of formula (I) as cGAS inhibitors, wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11and G are defined as in claim 1, and prodrugs or pharmaceutically acceptable salts of these compounds for the treatment of diseases such as systemic lupus erythematosus, systemic sclerosis (SSc), non-alcoholic steatotic hepatitis (NASH), interstitial lung disease (ILD) and idiopathic pulmonary fibrosis (IPF).

  公开号：

  WO2022238327A1

文献信息

• Kinase antagonists
  申请人：Knight A. Zachary

  公开号：US20070293516A1

  公开（公告）日：2007-12-20

  The present invention provides novel compounds that are antagonists of PI3 kinase, PI3 kinase and tryosine kinase, PI3Kinase and mTOR, or PI3Kinase, mTOR and tryosine kinase.

  本发明提供了一种新型化合物，它们是 PI3 激酶、PI3 激酶和酪氨酸激酶、PI3 激酶和 mTOR，或者 PI3 激酶、mTOR 和酪氨酸激酶的拮抗剂。
• METHODS AND COMPOSITIONS FOR TREATMENT OF OPHTHALMIC CONDITIONS
  申请人：Wilson Troy Edward

  公开号：US20110269779A1

  公开（公告）日：2011-11-03

  The present invention provides chemical entities or compounds and pharmaceutical compositions thereof that are capable of modulating signal transduction by certain protein kinases such as mTor, tyrosine kinases, and/or lipid kinases such as PB kinase in an ocular tissue. Also provided in the present invention are methods of using these compositions to modulate activities of one or more of these kinases, especially for therapeutic applications.

  本发明提供了能够调节特定蛋白激酶（如mTor、酪氨酸激酶和/或脂质激酶如PB激酶）在眼组织中的信号传导的化学实体或化合物以及其制药组合物。本发明还提供了利用这些组合物调节这些激酶中的一个或多个的活性的方法，特别是用于治疗应用。
• NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE
  申请人：Nakamura Tetsuya

  公开号：US20090239860A1

  公开（公告）日：2009-09-24

  The present invention provides compounds represented by general formula (I): or pharmaceutical acceptable salts thereof, wherein R 1 is hydrogen or lower alkyl; R 2 is lower alkyl, halo-lower alkyl, cycloalkyl, heterocycloalkyl, aryl, aralkyl, arylalkenyl, aryloxy-lower alkyl, heteroaryl, heteroaryl-lower alkyl, etc; R 3 , R 4 , R 5 and R 6 are each hydrogen, halogen, cyano, lower alkyl, halo-lower alkyl, lower alkoxy, hydroxy, aryl, etc; provided that at least one of R 3 , R 4 , R 5 and R 6 is other than hydrogen. Compound (I) of the present invention shows a potent adenosine A 2A receptor antagonistic activity, and are useful for treating or preventing a disease mediated by adenosine A 2A receptors such as motor function disorders, depression, anxiety disorders, cognitive function disorders, cerebral ischemia disorders, restless legs syndrome and the like.

  本发明提供了通式(I)所表示的化合物或其药物可接受的盐，其中R1是氢或低碳基；R2是低碳基，卤代低碳基，环烷基，杂环烷基，芳基，芳基烷基，芳基烯基，芳氧基-低碳基，杂芳基，杂芳基-低碳基等；R3、R4、R5和R6均为氢、卤素、氰基、低碳基、卤代低碳基、低碳氧基、羟基、芳基等；其中至少有一个R3、R4、R5和R6不是氢。本发明的化合物(I)表现出强大的腺苷A2A受体拮抗活性，并且可用于治疗或预防由腺苷A2A受体介导的疾病，例如运动功能障碍、抑郁症、焦虑症、认知功能障碍、脑缺血性疾病、不宁腿综合征等。
• Kinase Antagonists
  申请人：Knight Zachary A.

  公开号：US20110301144A1

  公开（公告）日：2011-12-08

  The present invention provides novel compounds that are antagonists of PI3 kinase, PI3 kinase and tyrosine kinase, PI3 kinase and mTOR, or PI33 kinase, mTOR and tyrosine kinase.

  本发明提供了一种新型化合物，它们是PI3激酶、PI3激酶和酪氨酸激酶、PI3激酶和mTOR或PI33激酶、mTOR和酪氨酸激酶的拮抗剂。
• ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS
  申请人：Novartis AG

  公开号：EP2993169A1

  公开（公告）日：2016-03-09

  The present invention provides a compound of formula I; or a pharmaceutically acceptable salt thereof, wherein A, R1, R2, R3, R4, R5 and n are as defined herein and the use of such compounds for the treatment of disorders or diseases mediated by aldosterone synthase. The invention also relates to pharmaceutical compositions and combinations comprising compounds of formula I.

  本发明提供了一种式 I 的化合物； 或其药学上可接受的盐，其中A、R1、R2、R3、R4、R5和n如本文所定义，以及此类化合物用于治疗由醛固酮合酶介导的紊乱或疾病的用途。本发明还涉及包含式 I 化合物的药物组合物和组合物。