1-(4-甲氧基苄基)-3-氨基-1H-吡唑-4-羧酸乙酯 | 384835-91-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-(4-甲氧基苄基)-3-氨基-1H-吡唑-4-羧酸乙酯
• 英文名称: ethyl 3-amino-1-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxylate
• 英文别名: ethyl 3-amino-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate；ethyl 3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate
• CAS: 384835-91-0
• 化学式: C₁₄H₁₇N₃O₃
• 分子量: 275.307
• InChiKey: VENORFAVDRPVBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  79.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(4-甲氧基苄基)-3-氨基-1H-吡唑-4-羧酸乙酯 在 吡啶 、 sodium ethanolate 、 copper diacetate 、 sodium hexamethyldisilazane 、 铁粉 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 7-Chloro-2-[(4-methoxyphenyl)methyl]-10-methyl-5-phenylpyrazolo[3,4-b][1,5]benzodiazepin-4-one
  参考文献：
  名称：

  Discovery of a 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione series of inhibitors of HIV-1 capsid assembly

  摘要：

  The discovery of a 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione series of inhibitors of HIV-1 capsid assembly is described. Synthesis of analogs of the 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione hit established structure-activity relationships. Replacement of the enamine functionality of the hit series with either an imidazole or a pyrazole ring led to compounds that inhibited both capsid assembly and reverse transcriptase. Optimization of the bicyclic benzodiazepine scaffold to include a 3-phenyl substituent led to lead compound 48, a pure capsid assembly inhibitor with improved antiviral activity. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.131
• 作为产物：
  描述：

  3-氨基-4-乙氧羰基吡唑 、 4-甲氧基氯苄 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以53%的产率得到1-(4-甲氧基苄基)-3-氨基-1H-吡唑-4-羧酸乙酯
  参考文献：
  名称：

  [EN] NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS
  [FR] NOUVEAUX DÉRIVÉS DE THIAZOLE ET LEUR EMPLOI EN TANT QUE MODULATEURS ALLOSTÉRIQUES POSITIFS DES RÉCEPTEURS MÉTABOTROPIQUES DU GLUTAMATE

  摘要：

  本发明涉及式（I）的新化合物，其中M、P、A和（B）n如式（I）中所定义；该发明化合物是代谢型谷氨酸受体-亚型4（"mGluR4"）的调节剂，对于治疗或预防中枢神经系统疾病以及其他受mGluR4受体调节的疾病具有用处。该发明还涉及制药组合物以及利用这类化合物制造药物的用途，以及利用这类化合物预防和治疗涉及mGluR4的疾病的用途。

  公开号：

  WO2010079239A1

文献信息

• [EN] NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS<br/>[FR] NOUVEAUX DÉRIVÉS DE THIAZOLE ET LEUR EMPLOI EN TANT QUE MODULATEURS ALLOSTÉRIQUES POSITIFS DES RÉCEPTEURS MÉTABOTROPIQUES DU GLUTAMATE
  申请人：ADDEX PHARMACEUTICALS SA

  公开号：WO2010079239A1

  公开（公告）日：2010-07-15

  The present invention relates to novel compounds of Formula (I), wherein M, P, A and (B)n are defined as in Formula (I); invention compounds are modulators of metabotropic glutamate receptors - subtype 4 ("mGluR4") which are useful for the treatment or prevention of central nervous system disorders as well as other disorders modulated by mGluR4 receptors. The invention is also directed to pharmaceutical compositions and the use of such compounds in the manufacture of medicaments, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR4 is involved.

  本发明涉及式（I）的新化合物，其中M、P、A和（B）n如式（I）中所定义；该发明化合物是代谢型谷氨酸受体-亚型4（"mGluR4"）的调节剂，对于治疗或预防中枢神经系统疾病以及其他受mGluR4受体调节的疾病具有用处。该发明还涉及制药组合物以及利用这类化合物制造药物的用途，以及利用这类化合物预防和治疗涉及mGluR4的疾病的用途。
• Pyrazolopyridopyrimidine inhibitors of cGMP phosphodiesterase
  申请人：——

  公开号：US20020133008A1

  公开（公告）日：2002-09-19

  Compounds of the formula (I) 1 are useful as inhibitors of cGMP PDE especially Type 5.

  化合物的公式（I）1是cGMP PDE特别是Type 5的抑制剂，具有有效用途。
• ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND MEDICINAL APPLICATIONS
  申请人：Bhuniya Debnath

  公开号：US20120214735A1

  公开（公告）日：2012-08-23

  Acetamide derivatives, their stereoisomers, tautomers, prodrugs, pharmaceutically acceptable salts, polymorphs, solvates and formulations thereof for the prophylaxis, management, treatment, control of progression, or adjunct treatment of diseases and/or medical conditions where the activation of glucokinase would be beneficial, are disclosed. The disclosure also provides process of preparation of these acetamide derivatives.

  本文披露了乙酰胺衍生物及其立体异构体、互变异构体、前药、药学上可接受的盐、多晶形、溶剂化物和制剂，用于预防、管理、治疗、控制进展或辅助治疗激活葡萄糖激酶有益的疾病和/或医疗条件。此外，本文还提供了制备这些乙酰胺衍生物的过程。
• NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS
  申请人：Bolea Christelle

  公开号：US20110257179A1

  公开（公告）日：2011-10-20

  The present invention relates to novel compounds of Formula (I), wherein M, P, A and (B) n are defined as in Formula (I); invention compounds are modulators of metabotropic glutamate receptors—subtype 4 (“mGluR4”) which are useful for the treatment or prevention of central nervous system disorders as well as other disorders modulated by mGluR4 receptors. The invention is also directed to pharmaceutical compositions and the use of such compounds in the manufacture of medicaments, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR4 is involved.

  本发明涉及公式（I）的新化合物，其中M，P，A和（B）n如公式（I）中所定义；发明化合物是代谢型谷氨酸受体-亚型4（“mGluR4”）的调节剂，对于治疗或预防中枢神经系统疾病以及其他由mGluR4受体调节的疾病有用。本发明还涉及制药组合物以及使用这种化合物制造药物的用途，以及使用这种化合物预防和治疗涉及mGluR4的疾病的用途。
• NOVEL TETRAHYDROPYRAZOLO [3,4-b] AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS
  申请人：Bolea Christelle

  公开号：US20130267499A1

  公开（公告）日：2013-10-10

  The present invention relates to novel compounds of Formula (I), wherein M, A and Y are defined as in Formula (I); invention compounds are modulators of metabotropic glutamate receptors—subtype 4 (“mGluR 4 ”) which are useful for the treatment or prevention of central nervous system disorders as well as other disorders modulated by mGluR 4 receptors. The invention is also directed to pharmaceutical compositions and the use of such compounds in the manufacture of medicaments, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR 4 is involved.

  本发明涉及公式（I）的新化合物，其中M，A和Y如公式（I）中所定义；发明化合物是代谢型谷氨酸受体-亚型4（“mGluR4”）的调节剂，可用于治疗或预防中枢神经系统疾病以及其他受mGluR4受体调节的疾病。本发明还涉及制药组合物以及使用这些化合物制造药物的用途，以及使用这些化合物预防和治疗涉及mGluR4的疾病的用途。