ethyl 1-benzyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 1-benzyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
• 英文别名: ethyl 1-benzyl-3-hydroxy-1H-pyrazole-4-carboxylate；ethyl 2-benzyl-5-oxo-1H-pyrazole-4-carboxylate
• 化学式: C₁₃H₁₄N₂O₃
• 分子量: 246.266
• InChiKey: ZLJLHUWHYWOFBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 1-benzyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate 在 manganese(IV) oxide 、 lithium aluminium tetrahydride 、 magnesium sulfate 、 potassium carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.25h， 生成 benzyl [1-(1-benzyl-3-methoxy-1H-pyrazol-4-yl)prop-2-en-1-yl]prop-2-en-1-ylcarbamate
  参考文献：
  名称：

  HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS

  摘要：

  本发明提供了Formula I的化合物及其药用盐，其中变量R1、R2、R3、R4、R9、X、m和n如本文所定义；制备方法；用于制备的中间体；含有这些化合物或盐的组合物，以及它们用于治疗κ-阿片受体相关疾病的用途，例如神经系统疾病，或精神障碍，如神经认知障碍、物质滥用障碍、抑郁障碍、焦虑障碍、创伤和应激相关障碍以及进食障碍。

  公开号：

  US20180148432A1
• 作为产物：
  描述：

  benzylhydrazine dihydrochloride 、 乙氧基甲叉丙二酸二乙酯 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以63%的产率得到ethyl 1-benzyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
  参考文献：
  名称：

  HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS

  摘要：

  本发明提供了Formula I的化合物及其药用盐，其中变量R1、R2、R3、R4、R9、X、m和n如本文所定义；制备方法；用于制备的中间体；含有这些化合物或盐的组合物，以及它们用于治疗κ-阿片受体相关疾病的用途，例如神经系统疾病，或精神障碍，如神经认知障碍、物质滥用障碍、抑郁障碍、焦虑障碍、创伤和应激相关障碍以及进食障碍。

  公开号：

  US20180148432A1

文献信息

• FIVE-MEMBERED HETEROCYCLIC COMPOUNDS
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1541564A1

  公开（公告）日：2005-06-15

  The present invention provides a compound represented by the formula: wherein R1 is an optionally substituted 5-membered heterocyclic group; X, Y and V are the same or different and each is a bond, an oxygen atom, a sulfur atom and the like; Q is a divalent hydrocarbon group having 1 to 20 carbon atoms; ring A is an aromatic ring optionally further having 1 to 3 substituents; Z is -(CH2)n-Z1- or -Z1-(CH2)n- (n is an integer of 0 to 8, Z1 is a bond, an oxygen atom, a sulfur atom and the like); ring B is a nitrogen-containing heterocycle optionally further having 1 to 3 substituents; W is a bond or a divalent hydrocarbon group having 1 to 20 carbon atoms; R2 is a hydrogen atom, a cyano group, -PO(OR9)(OR10) (R9 and R10 are the same or different and each is a hydrogen atom or an optionally substituted hydrocarbon group, and R9 and R10 are optionally bonded to form an optionally substituted ring) and the like, or a salt thereof, which has a superior adipose tissue weight decreasing action, a hypoglycemic action and a hypolipidemic action, and which is useful as an agent for the prophylaxis or treatment of obesity, diabetes mellitus, hyperlipidemia, impaired glucose tolerance, hypertension and the like.

  本发明提供了一种由以下式表示的化合物： 其中R1是可选择地取代的5-成员杂环基团；X、Y和V相同或不同，每个都是键，氧原子，硫原子等；Q是具有1到20个碳原子的二价碳氢基团；环A是一个芳香环，可选择地进一步具有1到3个取代基；Z是-(CH2)n-Z1-或-Z1-( )n-（n是0到8的整数，Z1是键，氧原子，硫原子等）；环B是一个含氮杂环，可选择地进一步具有1到3个取代基；W是键或具有1到20个碳原子的二价碳氢基团；R2是氢原子，氰基，-PO(OR9)(OR10)（R9和R10相同或不同，每个是氢原子或可选择地取代的碳氢基团，R9和R10可选择地结合形成可选择地取代的环）等，或其盐，具有优越的减少脂肪组织重量的作用，降糖作用和降脂作用，并且作为预防或治疗肥胖症，糖尿病，高脂血症，糖耐量受损，高血压等的药剂是有用的。
• Five-membered heterocyclic compounds
  申请人：Momose Yu

  公开号：US20060135578A1

  公开（公告）日：2006-06-22

  The present invention provides a compound represented by the formula: wherein R 1 is an optionally substituted 5-membered heterocyclic group; X, Y and V are the same or different and each is a bond, an oxygen atom, a sulfur atom and the like; Q is a divalent hydrocarbon group having 1 to 20 carbon atoms; ring A is an aromatic ring optionally further having 1 to 3 substituents; Z is —(CH 2 ) n -Z 1 - or -Z 1 -(CH 2 ) n — (n is an integer of 0 to 8, Z 1 is a bond, an oxygen atom, a sulfur atom and the like); ring B is a nitrogen-containing heterocycle optionally further having 1 to 3 substituents; W is a bond or a divalent hydrocarbon group having 1 to 20 carbon atoms; R 2 is a hydrogen atom, a cyano group, —PO(OR 9 )(OR 10 ) (R 9 and R 10 are the same or different and each is a hydrogen atom or an optionally substituted hydrocarbon group, and R 9 and R 10 are optionally bonded to form an optionally substituted ring) and the like, or a salt thereof, which has a superior adipose tissue weight decreasing action, a hypoglycemic action and a hypolipidemic action, and which is useful as an agent for the prophylaxis or treatment of obesity, diabetes mellitus, hyperlipidemia, impaired glucose tolerance, hypertension and the like.

  本发明提供一种化合物，其化学式表示为：其中，R1为可选取的取代的5-成员杂环基；X、Y和V相同或不同，每个都是键，氧原子，硫原子等；Q为具有1到20个碳原子的二价碳氢基团；环A为芳香环，可选地进一步具有1到3个取代基；Z为—(CH2)n-Z1-或-Z1-( )n—（n为0到8的整数，Z1为键，氧原子，硫原子等）；环B为含氮杂环，可选地进一步具有1到3个取代基；W为键或具有1到20个碳原子的二价碳氢基团；R2为氢原子，氰基，—PO(OR9)(OR10)（R9和R10相同或不同，每个都是氢原子或可选取的取代的碳氢基团，R9和R10可选择性地结合形成可选取的取代环）等，或其盐，具有优异的减轻脂肪组织重量、降血糖和降血脂作用，可用作预防或治疗肥胖症、糖尿病、高脂血症、糖耐量受损、高血压等的药剂。
• Heteroarylphenoxy benzamide kappa opioid ligands
  申请人：Pfizer Inc.

  公开号：US10316021B2

  公开（公告）日：2019-06-11

  The present invention provides compounds of Formula I: and pharmaceutically acceptable salts thereof wherein the variables R1, R2, R3, R4, R9, X, m and n are as defined herein; processes for the preparation of; intermediates used in the preparation of; and compositions containing such compounds or salts, and their uses for treating kappa opioid (κ-opioid) associated disorders including, e.g., a neurological disorder, or psychiatric disorder such as a neurocognitive disorder, substance abuse disorder, depressive disorder, anxiety disorder, trauma and stressor related disorder and feeding and eating disorder.

  本发明提供了式 I 的化合物： 及其药学上可接受的盐，其中变量 R1、R2、R3、R4、R9、X、m 和 n 如本文所定义；制备工艺；制备工艺中使用的中间体；以及含有此类化合物或盐的组合物，及其用于治疗卡巴阿片（κ-阿片）相关紊乱的用途，例如包括神经紊乱或精神紊乱，如神经认知紊乱、药物滥用紊乱、抑郁紊乱、焦虑紊乱、创伤和应激相关紊乱以及进食和饮食紊乱。
• US7368578B2
  申请人：——

  公开号：US7368578B2

  公开（公告）日：2008-05-06
• [EN] HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS<br/>[FR] LIGANDS OPIOÏDES KAPPA HÉTÉROARYLPHÉNOXY BENZAMIDE
  申请人：PFIZER

  公开号：WO2018096510A1

  公开（公告）日：2018-05-31

  The present invention provides compounds of Formula I: and pharmaceutically acceptable salts thereof wherein the variables R1, R2, R3, R4, R9, X, m and n are as defined herein; processes for the preparation of; intermediates used in the preparation of; and compositions containing such compound s or s al ts, an d thei r uses for treating kappa opioid (κ-opioid) associated disorders including, e.g., a neurological disorder, or psychiatric disorder such as a neurocognitive disorder, substance abuse disorder, depressive disorder, anxiety disorder, trauma and stressor related disorder and feeding and eating disorder.