ethyl 1-methyl-6-oxo-1,6-dihydropyridine-2-carboxylate | 61272-27-3

• 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: ethyl 1-methyl-6-oxo-1,6-dihydropyridine-2-carboxylate
• 英文别名: 1-Methyl-6-pyridon-2-carbonsaeureethylester；1-methyl-6-oxo-1,6-dihydro-pyridine-2-carboxylic acid ethyl ester；ethyl 1-methyl-6-oxopyridine-2-carboxylate
• CAS: 61272-27-3
• 化学式: C₉H₁₁NO₃
• 分子量: 181.191
• InChiKey: OKWXYQCXDVPRDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 1-methyl-6-oxo-1,6-dihydropyridine-2-carboxylate 在 sodium tetrahydroborate 、 三乙胺 、 叔丁醇 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 生成 (1-methyl-6-oxo-1,6-dihydropyridin-2-yl)methyl methanesulfonate
  参考文献：
  名称：

  [EN] HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS
  [FR] DÉRIVÉS HÉTÉROCYCLIQUES POUR LE TRAITEMENT DE TROUBLES À MÉDIATION PAR TRPM3

  摘要：

  本发明涉及用于预防或治疗TRPM3介导的疾病的化合物，更具体地说是选自疼痛和炎症过敏的疾病。本发明还涉及一种预防或治疗所述TRPM3介导的疾病的方法。

  公开号：

  WO2022112352A1
• 作为产物：
  描述：

  1,6-Dihydro-1-methyl-6-oxo-2-pyridinecarbonyl chloride 、 乙醇 以93%的产率得到
  参考文献：
  名称：

  WEBER H., ARCH. PHARM. , 1976, 309, NO 8, 664-669

  摘要：

  DOI：

文献信息

• BUTYRYLCHOLINESTERASE LIGANDS AS DIAGNOSTIC TOOLS AND TREATMENT FOR DESEASES OF THE NERVOUS SYSTEM
  申请人：Darvesh Sultan

  公开号：US20110212026A1

  公开（公告）日：2011-09-01

  Compounds useful for the early diagnosis of malignant tumors, multiple sclerosis, and especially Alzheimer's Disease and related dementias; especially compounds of Formula (I) wherein R 1 is selected from the group consisting of hydrogen, cyano, fluoro, iodo, alkyl, and aryl; R 2 is selected from the group consisting of hydrogen, alkyl, and aryl; X is selected from the group consisting of CH 2 , CH 2 O, oxygen, OCH 2 , CH 2 S, SCH 2 , NH, N-alkyl, and N-aryl; Y is an optional spacer group, absent or selected from the group consisting of oxygen, sulfur, NH, N-alkyl, and N-aryl; and Z is selected from the group consisting of alkyl substituted with cyano, fluoro, or iodo and aryl substituted with cyano, fluoro, or iodo. In a preferred embodiment, R 1 and R 2 are hydrogen, X is CH 2 O, Y is absent, and Z is phenyl substituted with fluoro, cyano, or iodo. In some embodiments, Z is more specifically 18 F-phenyl or 123 I-phenyl or 131 I-phenyl. Other compounds are also provided.

  本发明提供了用于早期诊断恶性肿瘤、多发性硬化症，尤其是阿尔茨海默病和相关痴呆症的化合物，特别是式（I）的化合物，其中R1选自氢、氰、氟、碘、烷基和芳基组成的群体；R2选自氢、烷基和芳基组成的群体；X选自CH2、 O、氧、O 、 S、S 、NH、N-烷基和N-芳基组成的群体；Y是可选的间隔基团，不存在或选自氧、硫、NH、N-烷基和N-芳基组成的群体；Z选自用氰、氟或碘取代的烷基和用氰、氟或碘取代的芳基组成的群体。在首选实施例中，R1和R2为氢，X为 O，Y不存在，Z为用氟、氰或碘取代的苯基。在某些实施例中，Z更具体地为18F-苯基或123I-苯基或131I-苯基。本发明还提供了其他化合物。
• US8795630B2
  申请人：——

  公开号：US8795630B2

  公开（公告）日：2014-08-05
• [EN] BUTYRYLCHOLINESTERASE LIGANDS AS DIAGNOSTIC TOOLS AND TREATMENT FOR DESEASES OF THE NERVOUS SYSTEM<br/>[FR] LIGANDS DE LA BUTYRYLCHOLINESTÉRASE EN TANT QU'OUTILS DE DIAGNOSTIC ET DE TRAITEMENT DES PATHOLOGIES DU SYSTÈME NERVEUX
  申请人：TREVENTIS CORP

  公开号：WO2010025368A1

  公开（公告）日：2010-03-04

  Compounds useful for the early diagnosis of malignant tumors, multiple sclerosis, and especially Alzheimer's Disease and related dementias; especially compounds of Formula (I) wherein R1 is selected from the group consisting of hydrogen, cyano, fluoro, iodo, alkyl, and aryl; R2 is selected from the group consisting of hydrogen, alkyl, and aryl; X is selected from the group consisting of CH2, CH2O, oxygen, OCH2, CH2S, SCH2, NH, N-alkyl, and N-aryl; Y is an optional spacer group, absent or selected from the group consisting of oxygen, sulfur, NH, N-alkyl, and N-aryl; and Z is selected from the group consisting of alkyl substituted with cyano, fluoro, or iodo and aryl substituted with cyano, fluoro, or iodo. In a preferred embodiment, R1 and R2 are hydrogen, X is CH2O, Y is absent, and Z is phenyl substituted with fluoro, cyano, or iodo. In some embodiments, Z is more specifically 18F-phenyl or 123I-phenyl or 131I-phenyl. Other compounds are also provided.