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、CH2O、氧、OCH2、CH2S、SCH2、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CH2O，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.
• WEBER H., ARCH. PHARM. <APBD-AJ>, 1976, 309, NO 8, 664-669
  作者：WEBER H.

  DOI：——

  日期：——
• [EN] HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES POUR LE TRAITEMENT DE TROUBLES À MÉDIATION PAR TRPM3
  申请人：UNIV LEUVEN KATH

  公开号：WO2022112352A1

  公开（公告）日：2022-06-02

  The invention relates to compounds that are useful for the prevention or treatment of TRPM3 mediated disorders, more in particular disorders selected from pain and inflammatory hypersensitivity. The invention also relates to a method for the prevention or treatment of said TRPM3 mediated disorders.

  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。