1,2-二氢-1-甲基-2-氧代-4-吡啶羧酸乙酯 | 98996-29-3

• 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
• 中文名称: 1,2-二氢-1-甲基-2-氧代-4-吡啶羧酸乙酯
• 英文名称: 1-methyl-2-oxo-1,2-dihydro-pyridine-4-carboxylic acid ethyl ester
• 英文别名: 1-Methyl-2-oxo-1,2-dihydro-pyridin-4-carbonsaeure-aethylester；Ethyl 1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate；ethyl 1-methyl-2-oxopyridine-4-carboxylate
• CAS: 98996-29-3
• 化学式: C₉H₁₁NO₃
• mdl: MFCD19686396
• 分子量: 181.191
• InChiKey: INXGWUMBWHECGK-UHFFFAOYSA-N

物化性质

• 沸点：
  319.2±35.0 °C(Predicted)
• 密度：
  1.186±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P264,P280,P302+P352,P305+P351+P338,P332+P313,P337+P313,P362
• 危险性描述：
  H315,H319

反应信息

• 作为反应物：
  描述：

  1,2-二氢-1-甲基-2-氧代-4-吡啶羧酸乙酯 在 乙醇 、 一水合肼 作用下， 生成 2-氧代-1,2-二氢吡啶-4-羧酸肼
  参考文献：
  名称：

  Ethyl N-Methyl-2-pyridone-4-carboxylate and Derivatives

  摘要：

  DOI：

  10.1021/jo01084a011
• 作为产物：
  描述：

  4-(methoxycarbonyl)-1-methylpyridinium iodide 在 氯化亚砜 、 alkaline solution 、 potassium hexacyanoferrate(III) 作用下， 生成 1,2-二氢-1-甲基-2-氧代-4-吡啶羧酸乙酯
  参考文献：
  名称：

  Ethyl N-Methyl-2-pyridone-4-carboxylate and Derivatives

  摘要：

  DOI：

  10.1021/jo01084a011

文献信息

• [EN] DIHYDROPYRAZOLOPYRIDINE COMPOUNDS<br/>[FR] COMPOSES DE DIHYDROPYRAZOLOPYRIDINE
  申请人：MITSUBISHI PHARMA CORP

  公开号：WO2004014910A1

  公开（公告）日：2004-02-19

  The present invention provides dihydropyrazolopyridine compounds represented by the formula (I):wherein each symbol is as defined in the specification, optically active forms thereof, and pharmaceutically acceptable salts thereof and hydrates thereof. The compounds of the present invention show a selective and strong inhibitory activity on glycogen synthase kinase-3 beta (GSK-3β), and are useful as medicaments for prevention and/or treatment of diabetes, diabetic complications and neurodegenerative diseases or as immunopotentiators.

  本发明提供了由式(I)表示的二氢吡唑吡啶化合物，其中每个符号如规范中定义，其光学活性形式，以及其药学上可接受的盐和水合物。本发明的化合物显示出对糖原合成酶激酶-3β（GSK-3β）的选择性和强烈的抑制活性，并可用作预防和/或治疗糖尿病、糖尿病并发症和神经退行性疾病或免疫增强剂的药物。
• Dihydropyrazolopyridine compounds and pharmaceutical use thereof
  申请人：——

  公开号：US20040052822A1

  公开（公告）日：2004-03-18

  The present invention provides dihydropyrazolopyridine compounds represented by the formula (I): 1 wherein each symbol is as defined in the specification, optically active forms thereof, and pharmaceutically acceptable salts thereof and hydrates thereof. The compounds of the present invention show a selective and strong inhibitory activity on glycogen synthase kinase-3 beta (GSK-3&bgr;), and are useful as medicaments for prevention and/or treatment of diabetes, diabetic complications and neurodegenerative diseases or as immunopotentiators.

  本发明提供了由式(I)所表示的二氢吡唑吡啶化合物：其中每个符号如规范中所定义，其光学活性形式和药学上可接受的盐及其水合物。本发明的化合物在糖原合酶激酶-3 beta（GSK-3β）上表现出选择性和强烈的抑制活性，并可用作预防和/或治疗糖尿病、糖尿病并发症和神经退行性疾病或作为免疫增强剂的药物。
• Vinylogous carbinolamine tumor inhibitors. 24. Synthesis, chemistry, and antineoplastic activity of .alpha.-halopyridinium salts: potential pyridone prodrugs of acylated vinylogous carbinolamine tumor inhibitors.
  作者：Wayne K. Anderson、Dennis C. Dean、Toshiyasu Endo

  DOI：10.1021/jm00168a021

  日期：1990.6

  A series of 4- and 5-[2,3-dihydro-6,7-bis[[(N-alkylcarbamoyl)oxy]methyl]-1H-pyrrol izin-5- yl]-2-halopyridinium iodides were synthesized. The rates of hydrolysis of the alpha-halopyridinium salts to the corresponding pyridones, and the reactivities of the carbamate moieties were studied as a function of pH, buffer composition, and ionic strength. The 4- and 5-pyrrolizinyl-2-halopyridinium iodides and the corresponding pyridones were evaluated against P388 lymphocytic leukemia in vivo. The alpha-fluoropyridinium compounds were active but the alpha-chloro compounds were not. This activity was correlated with the rates of hydrolysis of the alpha-halopyridinium compounds to the active pyridone. Compounds that were active in the P388 screen were evaluated in L1210 leukemia, M5076 carcinoma, and MX-1 mammary xenograft assays in mice.
• DIHYDROPYRAZOLOPYRIDINE COMPOUNDS
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1537106A1

  公开（公告）日：2005-06-08
• US6977262B2
  申请人：——

  公开号：US6977262B2

  公开（公告）日：2005-12-20