5-Ethyl-6-methyl-2-pyridinecarbonitrile

• 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: 5-Ethyl-6-methyl-2-pyridinecarbonitrile
• 英文别名: 5-ethyl-6-methylpyridine-2-carbonitrile
• 化学式: C₉H₁₀N₂
• 分子量: 146.192
• InChiKey: PQQPKDLOUADLIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-Ethyl-6-methyl-2-pyridinecarbonitrile 在 盐酸 、 二异丁基氢化铝 作用下， 以 二氯甲烷 为溶剂， 生成 (5-ethyl-6-methylpyridin-2-yl)methanol
  参考文献：
  名称：

  A series of non-quinoline cysLT1 receptor antagonists: Sar study on pyridyl analogs of singulair®

  摘要：

  The structure-activity relationship of a series of styrylpyridine analogs of MK-0476 (montelukast, Singulair(R)) is described. This work has led to the identification of a number of potent and orally active cysLT(1), receptor (LTD4 receptor) antagonists including 2ab (1,-733,321) as an optimized candidate. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00051-1
• 作为产物：
  描述：

  2-甲基-3-乙基-吡啶 在 N,N-二乙基氯甲酰胺 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 生成 5-Ethyl-6-methyl-2-pyridinecarbonitrile
  参考文献：
  名称：

  A series of non-quinoline cysLT1 receptor antagonists: Sar study on pyridyl analogs of singulair®

  摘要：

  The structure-activity relationship of a series of styrylpyridine analogs of MK-0476 (montelukast, Singulair(R)) is described. This work has led to the identification of a number of potent and orally active cysLT(1), receptor (LTD4 receptor) antagonists including 2ab (1,-733,321) as an optimized candidate. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00051-1

文献信息

• [EN] 3.ALPHA.-HYDROXY, 17.BETA.-C(O)-N-ARYL SUBSTITUTED NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF<br/>[FR] STÉROÏDES NEUROACTIFS 3.ALPHA.-HYDROXY, 17.BETA.-C(O)-N-ARYL-SUBSTITUÉS ET COMPOSITIONS ASSOCIÉES
  申请人：SAGE THERAPEUTICS INC

  公开号：WO2021262836A1

  公开（公告）日：2021-12-30

  Provided herein is a compound of the Formula (I) or a pharmaceutically acceptable salt thereof, wherein R2a, R2b, R3a, R4a, R4b, R5, R6, R7, R11a, R11b, R15a, R15b, R16,R17, R19, RX, RY, and t are defined herein. Also provided herein are pharmaceutical compositions comprising a compound of Formula (I) and methods of using the compounds, e.g., in the treatment of CNS-related disorders.

  本文提供了一种公式(I)的化合物或其药学上可接受的盐，其中R2a，R2b，R3a，R4a，R4b，R5，R6，R7，R11a，R11b，R15a，R15b，R16，R17，R19，RX，RY和t在此定义。本文还提供了含有公式(I)的化合物的药物组合物和使用该化合物的方法，例如用于治疗中枢神经系统相关疾病。
• Pyridine-substituted benzyl alcohols as leukotriene antagonists
  申请人：Merck Frosst Canada, Inc.

  公开号：US05506227A1

  公开（公告）日：1996-04-09

  Compounds having the formula I: ##STR1## are antagonists of the actions of leukotrienes. These compounds are useful as anti-asthmatic, anti-allergic, anti-inflammatory, and cytoprotective agents. They are also useful in treating angina, cerebral spasm, glomerular nephritis, hepatitis, endotoxemia, uveitis, and allograft rejection.

  具有公式I的化合物：##STR1## 是白三烯作用的拮抗剂。这些化合物可用作抗哮喘、抗过敏、抗炎和细胞保护剂。它们还可用于治疗心绞痛、脑血管痉挛、肾小球肾炎、肝炎、内毒素血症、葡萄膜炎和移植排斥反应。
• [EN] 4-FLUORO-(4-(4-BENZYL)PIPERIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP46A1 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS<br/>[FR] DÉRIVÉS DE 4-FLUORO-(4-(4-BENZYL)PIPÉRIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)MÉTHANONE ET COMPOSÉS SIMILAIRES UTILISÉS EN TANT QU'INHIBITEURS DE CYP46A1 POUR LE TRAITEMENT D'AFFECTIONS NEURODÉGÉNÉRATIVES
  申请人：SAGE THERAPEUTICS INC

  公开号：WO2022115620A1

  公开（公告）日：2022-06-02

  The present invention refers to 4-Fluoro-(4-(4-Benzyl)piperidin-l-yl) (2-(pyrimidin-4-yl)pyridin-3-yl)methanone derivatives and similar compounds of formula (I) as CYP46A1 inhibitors for the treatment of neurodegenerative disorders, epilepsy, developmental and epileptic encephalopathies, psychiatric disorders, and spasms; Neurodegenerative disorders such as e.g. Alzheimer's disease, mild cognitive impairment, Huntington's disease, Parkinson's disease, amyotrophic lateral sclerosis, traumatic brain injury, cerebral infarction, glaucoma, and multiple sclerosis; Psychiatric disorders such as e.g. schizophrenia, autism spectrum disorder, delusional disorder, schizoaffective disorder, and depression. An exemplary compound is e.g. (4-fluoro-4-(4-fluorobenzyl) piperidin-l-yl)(2-(py rim idin-4-yl)py rid in-3-y I) methanone (example 3, compound 1).

  本发明涉及公式（I）的4-氟-（4-（4-苄基）哌啶-1-基）（2-（嘧啶-4-基）吡啶-3-基）甲酮衍生物和类似化合物作为CYP46A1抑制剂，用于治疗神经退行性疾病、癫痫、发育性和癫痫性脑病、精神障碍和痉挛；神经退行性疾病，例如阿尔茨海默病、轻度认知障碍、亨廷顿病、帕金森病、肌萎缩性侧索硬化症、创伤性脑损伤、脑梗死、青光眼和多发性硬化症；精神障碍，例如精神分裂症、自闭症谱系障碍、妄想症、情感性精神障碍和抑郁症。一个示例化合物是例如（4-氟-4-（4-氟苄基）哌啶-1-基）（2-（嘧啶-4-基）吡啶-3-基）甲酮（示例3，化合物1）。
• PYRIDINE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS
  申请人：MERCK FROSST CANADA INC.

  公开号：EP0639181A1

  公开（公告）日：1995-02-22
• TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS
  申请人：Nissan Chemical Industries, Ltd.

  公开号：EP1732929B1

  公开（公告）日：2010-10-20