2-chloro-6-cyanonicotinic acid | 1356850-56-0

• 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-chloro-6-cyanonicotinic acid
• 英文别名: 2-chloro-6-cyanopyridine-3-carboxylic acid；2-Chloro-6-cyanonicotinic acid
• CAS: 1356850-56-0
• 化学式: C₇H₃ClN₂O₂
• 分子量: 182.566
• InChiKey: AQQPSOFXRJPCIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-chloro-6-cyanonicotinic acid 在 aluminum (III) chloride 、 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 7.83h， 生成 6-chloro-5-(2-(cyclopropylmethyl)oxazol-5-yl)picolinonitrile
  参考文献：
  名称：

  [EN] 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR
  [FR] MODULATEURS ALLOSTÉRIQUES DE 5-(PYRIDIN-3-YL)OXAZOLE DU RÉCEPTEUR MUSCARINIQUE M4 DE L'ACÉTYLCHOLINE

  摘要：

  提供了含有5-(吡啶-3-基)噁唑化合物的组合物，这些化合物的组合物以及这些组合物在潜在预防或治疗M4肌胆碱受体参与的疾病中的用途。

  公开号：

  WO2019000238A1
• 作为产物：
  描述：

  2-chloro-3-(methoxycarbonyl)pyridine 1-oxide 在 potassium trimethylsilonate 、 乙酰氯 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 18.0h， 生成 2-chloro-6-cyanonicotinic acid
  参考文献：
  名称：

  [EN] 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR
  [FR] MODULATEURS ALLOSTÉRIQUES DE 5-(PYRIDIN-3-YL)OXAZOLE DU RÉCEPTEUR MUSCARINIQUE M4 DE L'ACÉTYLCHOLINE

  摘要：

  提供了含有5-(吡啶-3-基)噁唑化合物的组合物，这些化合物的组合物以及这些组合物在潜在预防或治疗M4肌胆碱受体参与的疾病中的用途。

  公开号：

  WO2019000238A1

文献信息

• 5-(pyridin-3-yl)oxazole allosteric modulators of the M4 muscarinic acetylcholine receptor
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10981902B2

  公开（公告）日：2021-04-20

  The present invention is directed to 5-(pyridine-3-yl)oxaxole compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

  本发明涉及 5-(吡啶-3-基)氧杂吲哚化合物，它是 M4 蕈样乙酰胆碱受体的异位调节剂。本发明还涉及本文所述化合物在潜在治疗或预防涉及 M4 肌 肉碱乙酰胆碱受体的神经和精神疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗涉及 M4 蕈样乙酰胆碱受体的此类疾病中的用途。
• Discovery of Benzodiazepine Sulfonamide-Based Bombesin Receptor Subtype 3 Agonists and Their Unusual Chirality
  作者：Ping Liu、Thomas J. Lanza、Marc Chioda、Carrie Jones、Harry R. Chobanian、Yan Guo、Linda Chang、Theresa M. Kelly、Yanqing Kan、Oksana Palyha、Xiao-Ming Guan、Donald J. Marsh、Joseph M. Metzger、Katie Ramsay、Sheng-Ping Wang、Alison M. Strack、Randy Miller、Jianmei Pang、Kathy Lyons、Jasminka Dragovic、Jian G. Ning、Wes A. Schafer、Christopher J. Welch、Xiaoyi Gong、Ying-Duo Gao、Viktor Hornak、Richard G. Ball、Nancy Tsou、Marc L. Reitman、Matthew J. Wyvratt、Ravi P. Nargund、Linus S. Lin

  DOI：10.1021/ml200207w

  日期：2011.12.8

  We report herein the discovery of benzodiazepine sulfonamide-based bombesin receptor subtype 3 (BRS-3) agonists and their unusual chirality. Starting from a high-throughput screening lead, we prepared a series of BRS-3 agonists with improved potency and pharmacokinetic properties, of which compound 8a caused mechanism-based, dose-dependent food intake reduction and body weight loss after oral dosing in diet-induced obese mice. This effort also led to the discovery of a novel family of chiral molecules originated from the conformationally constrained seven-membered diazepine ring.
• 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3644990A1

  公开（公告）日：2020-05-06
• [EN] 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR<br/>[FR] MODULATEURS ALLOSTÉRIQUES DE TYPE 5-(PYRIDIN-3-YL)OXAZOLE DU RÉCEPTEUR MUSCARINIQUE M4 D'ACÉTYLCHOLINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2019005589A1

  公开（公告）日：2019-01-03

  The present invention is directed to 5-(pyridine-3-yl)oxaxole compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.
• WO2023/118092
  申请人：——

  公开号：——

  公开（公告）日：——