3-羟基吡啶甲酸乙酯 | 73406-50-5

• 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: 3-羟基吡啶甲酸乙酯
• 英文名称: ethyl 3-hydroxypicolinate
• 英文别名: ethyl 3-hydroxypyridine-2-carboxylate
• CAS: 73406-50-5
• 化学式: C₈H₉NO₃
• 分子量: 167.164
• InChiKey: NNYREQBXDUEBDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  3-羟基吡啶甲酸乙酯 在 咪唑 、 四丁基氟化铵 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 2.5h， 生成 2-(4-fluorobenzoyl)-3-hydroxypyridine
  参考文献：
  名称：

  Design and Synthesis of 4-Azaindoles as Inhibitors of p38 MAP Kinase

  摘要：

  Inhibition of the biosynthesis of proinflammatory cytokines such as tumor necrosis factor and interleukin-1 via p38 has been an approach toward the development of a disease modifying agent for the treatment of chronic inflammation and autoimmune diseases. The development of a new core structure of p38 inhibitors, 3-(4-fluorophenyl)-2-(pyridin-4-yl)-1H-pyrrolo[3,2-b] pyridine, is described. X-ray crystallographic data of the lead bound to the active site of p38 was used to guide the optimization of the series. Specific focus was placed on modulating the physical properties of the core while maintaining potent inhibition of p38. These efforts identified 42c as a potent inhibitor of p38, which also possessed the required physical properties worthy of advanced studies.

  DOI：

  10.1021/jm0301787
• 作为产物：
  描述：

  3-羟基-2-吡啶甲酸 在 硫酸 作用下， 以 乙醇 为溶剂， 以40.8 %的产率得到3-羟基吡啶甲酸乙酯
  参考文献：
  名称：

  杂芳环氮氧化合物及其制备方法和应用

  摘要：

  本发明涉及杂芳环氮氧化合物及其制备方法和应用，所述杂芳环氮氧化合物如式I所示： 其中A、L、Z、X、Y、E1、E2、E3和G如说明书所定义。

  公开号：

  CN116003406A

文献信息

• Discovery of pyridyl-based inhibitors of Plasmodium falciparum N-myristoyltransferase
  作者：Zhiyong Yu、James A. Brannigan、Kaveri Rangachari、William P. Heal、Anthony J. Wilkinson、Anthony A. Holder、Robin J. Leatherbarrow、Edward W. Tate

  DOI：10.1039/c5md00242g

  日期：——

  Scaffold hopping and structure-guided optimisation led to a new class of potent Plasmodium N-myristoyltransferase inhibitors with cellular activity.

  脚手架跳跃和结构引导优化导致了一类具有细胞活性的强效疟原虫N-肌醇化酰基转移酶抑制剂。
• [EN] METHODS OF TREATING ALZHEIMER'S DISEASE USING AROMATICALLY SUBSTITUTED omega-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES<br/>[FR] METHODES DE TRAITEMENT DE LA MALADIE D'ALZHEIMER AU MOYEN D'AMIDES D'ACIDE O-AMINO-ALCANOIQUE A SUBSTITUTIONS AROMATIQUES ET DE DIAMIDES D'ACIDE ALCANOIQUE
  申请人：ELAN PHARM INC

  公开号：WO2003103652A1

  公开（公告）日：2003-12-18

  Disclosed.are methods for treating Alzheimer's disease, and other diseases, and/or inhibiting beta-secretase enzyme, and/or inhibiting deposition of A beta peptide in a mammal, by use of compounds of formula (I) wherein the variables R1, R2, R3, R4, R5, X1, and X2 are defined herein.

  披露了治疗阿尔茨海默病和其他疾病，和/或抑制β-分泌酶酶，和/或通过使用式(I)化合物在哺乳动物体内抑制Aβ肽沉积的方法，其中变量R1、R2、R3、R4、R5、X1和X2在此处定义。
• P38 MAP kinase inhibitors
  申请人：Syntex (U.S.A.) LLC

  公开号：US06316464B1

  公开（公告）日：2001-11-13

  The present invention relates to compounds of Formula (I) that are p-38 MAP kinase inhibitors, pharmaceutical compositions containing them, methods for their use, and methods for preparing these compounds.

  本发明涉及式(I)化合物，它们是p-38 MAP激酶抑制剂，包含它们的药物组合物，使用它们的方法，以及制备这些化合物的方法。
• Heteroarylaminopyrazole derivatives useful for the treatment of diabetes
  申请人：Rudolph Joachim

  公开号：US20050192294A1

  公开（公告）日：2005-09-01

  The present invention relates to heteroarylaminopyrazole compounds, pharmaceutical compositions, and methods for treating diabetes and related disorders.

  本发明涉及杂芳基氨基吡唑化合物、药物组合物以及用于治疗糖尿病和相关障碍的方法。
• [EN] BENZOFURAN AMIDES AND HETEROAROMATIC ANALOGUES THEREOF FOR USE IN THERAPY<br/>[FR] AMIDES DE BENZOFURANE ET LEURS ANALOGUES HÉTÉROAROMATIQUES DESTINÉS À ÊTRE UTILISÉS EN THÉRAPIE
  申请人：EUROPEAN MOLECULAR BIOLOGY LABORATORY

  公开号：WO2018229193A1

  公开（公告）日：2018-12-20

  The present invention relatesto a pharmaceutical composition comprising acompound of the formula Ias described belowor a tautomeror a pharmaceutically acceptable salt thereof; to the compound of the formula Ias described below or a tautomer or a phar- maceutically acceptable salt thereof for use as a medicament, especially for use in the treatment or prevention of a disease or disorder selected from the group consisting of an inflammatory disease, a hyperproliferative disease or disorder, a hypoxia-related pathology and a disease characterized by excessive vascularization, and to certain novel compoundsof the formula Ias described below or a tautomer or a pharmaceuti- cally acceptable salt thereof. Formula (I) wherein X1 is CR1 or N; X2 is CR2 or N; X3 is CR3 or N; X4 is CR4 or N; with the proviso that at most two of X1, X2, X3 and X4 are N; L1, L2 are a bond or a bivalent radical such as C1-C6-alkylene or C3-C8-cycloalkylene; A is 3-, 4-, 5-, 6-, 7- or 8-membered saturated, partially unsaturated or maximally unsaturated carbocyclic ring which may carry one or more substituents R9; or L2-A forms a group C1-C6-alkylene-OR13, C1-C6-alkylene-SR14 or C1-C6-alkylene-NR15R16; and R1, R2, R3, R4, R5, R6, R9, R13, R14, R15 and R16 are as defined in the claims and the description.

  本发明涉及一种药物组合物，包括下述的化合物I的构造或其互变异构体或药用盐；以及用作药物的下述的化合物I的构造或其互变异构体或药用盐，特别用于治疗或预防从炎症性疾病、过度增殖性疾病或紊乱、缺氧相关病理和以过度血管生成为特征的疾病中选择的疾病或紊乱；以及下述的某些新型化合物I的构造或其互变异构体或药用盐。其中，化合物(I)中X1为CR1或N；X2为CR2或N；X3为CR3或N；X4为CR4或N；但X1、X2、X3和X4中最多有两个为N；L1、L2为键或类似C1-C6-烷基或C3-C8-环烷基的二价基团；A为3-、4-、5-、6-、7-或8-成员饱和、部分不饱和或最大不饱和的碳环，可能携带一个或多个取代基R9；或L2-A形成一个基团C1-C6-烷基-OR13、C1-C6-烷基-SR14或C1-C6-烷基-NR15R16；而R1、R2、R3、R4、R5、R6、R9、R13、R14、R15和R16如权利要求和说明中所定义。