methyl 2-allylnicotinate

• 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: methyl 2-allylnicotinate
• 英文别名: Methyl 2-allylnicotinate；methyl 2-prop-2-enylpyridine-3-carboxylate
• 化学式: C₁₀H₁₁NO₂
• 分子量: 177.203
• InChiKey: CZQUTPNZOFFZJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 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：

  methyl 2-allylnicotinate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 生成 methyl 2-propylnicotinate
  参考文献：
  名称：

  [EN] ETHYLDIAMINE OREXIN RECEPTOR ANTAGONISTS
  [FR] ÉTHYLÈNE DIAMINE EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE L'HYPOCRÉTINE

  摘要：

  本发明涉及对促进素受体的拮抗剂乙二胺化合物。本发明还涉及所述化合物在潜在的治疗或预防涉及促进素受体的神经和精神障碍和疾病中的用途。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的预防或治疗涉及促进素受体的疾病中的用途。

  公开号：

  WO2016100161A1
• 作为产物：
  描述：

  2-氯烟酸甲酯 、 烯丙基硼酸频哪醇酯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 cesium fluoride 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以100%的产率得到methyl 2-allylnicotinate
  参考文献：
  名称：

  [EN] HETEROARYL INHIBITORS OF PAD4
  [FR] INHIBITEURS HÉTÉROARYLES DE PAD4

  摘要：

  本发明提供了作为PAD4抑制剂有用的化合物，其组成物，以及治疗PAD4相关疾病的方法。

  公开号：

  WO2017147102A1

文献信息

• [EN] ETHYLDIAMINE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ÉTHYLÈNE DIAMINE EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE L'HYPOCRÉTINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2016100161A1

  公开（公告）日：2016-06-23

  The present invention is directed to ethyldiamne compounds which are antagonists of orexin receptors. 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 orexin 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 orexin receptors are involved.

  本发明涉及对促进素受体的拮抗剂乙二胺化合物。本发明还涉及所述化合物在潜在的治疗或预防涉及促进素受体的神经和精神障碍和疾病中的用途。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的预防或治疗涉及促进素受体的疾病中的用途。
• Pyrazole, triazole and tetrazole orexin receptor antagonists
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US10010539B2

  公开（公告）日：2018-07-03

  The present invention is directed to pyrazole, triazole and tetrazole compounds which are antagonists of orexin receptors. Such compounds are of the general structural formula I: 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 orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及吡唑、三唑和四唑化合物，它们是奥曲肽受体的拮抗剂。此类化合物的结构通式为 I： 本发明还涉及本文所述化合物在潜在治疗或预防涉及奥曲肽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药物组合物。本发明还涉及这些药物组合物在预防或治疗涉及奥曲肽受体的此类疾病中的用途。
• Ethyldiamine orexin receptor antagonists
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10011595B2

  公开（公告）日：2018-07-03

  The present invention is directed to ethyldiamne compounds which are antagonists of orexin receptors. Such compounds are of the general structural formula I: 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 orexin receptors are involved. The present invention is also directed to pharmaceutical 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 orexin receptors are involved.

  本发明涉及作为奥曲肽受体拮抗剂的乙二胺化合物。此类化合物的结构通式为 I： 本发明还涉及本文所述化合物在潜在治疗或预防涉及奥曲肽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药物组合物。本发明还涉及这些组合物在潜在预防或治疗涉及奥曲肽受体的此类疾病中的用途。
• Oxazole orexin receptor antagonists
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US10435398B2

  公开（公告）日：2019-10-08

  The present invention is directed to oxazole compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the oxazole compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及奥曲肽受体拮抗剂噁唑化合物。本发明还涉及本文所述噁唑化合物在潜在治疗或预防涉及奥曲肽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药物组合物。本发明还涉及这些药物组合物在潜在预防或治疗涉及奥曲肽受体的此类疾病中的用途。
• Heteroaryl inhibitors of PAD4
  申请人：Padlock Therapeutics, Inc.

  公开号：US11198681B2

  公开（公告）日：2021-12-14

  The present invention provides compounds useful as inhibitors of PAD4, compositions thereof, and methods of treating PAD4-related disorders.

  本发明提供了可用作 PAD4 抑制剂的化合物、其组合物以及治疗 PAD4 相关疾病的方法。