1-propyl-1H-pyrazole-4-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-propyl-1H-pyrazole-4-carboxylic acid
• 英文别名: 1-propylpyrazole-4-carboxylic acid
• 化学式: C₇H₁₀N₂O₂
• mdl: MFCD04970190
• 分子量: 154.169
• InChiKey: VLQMAVVBCYNBQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-(aminomethyl)benzyl)-7-ethyl-1H-purine-2,6(3H,7H)-dione trifluoroacetate 、 1-propyl-1H-pyrazole-4-carboxylic acid 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 以63%的产率得到N-(4-((7-ethyl-2,6-dioxo-1H-purin-3(2H,6H,7H)-yl)methyl)benzyl)-1-propyl-1H-pyrazole-4-carboxamide
  参考文献：
  名称：

  [EN] XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS
  [FR] DÉRIVÉS DE XANTHINE ET LEURS UTILISATIONS EN TANT QU'INHIBITEURS DE BROMODOMAINES DE PROTÉINES BET

  摘要：

  本发明涉及一种具有以下通式(I)的化合物：(I)其中：- R为(C1-C6)烷基；- R''优选为 H；- Ar为(C5-C12)芳基；- X1为-C(=O)-或-SO2-；且- R'选自可能被取代的(C1-C6)烷基、杂芳基、(C5-C12)芳基及(杂)环烷基，或其药学上可接受的盐和/或互变异构体形式，或其消旋体、非对映异构体或对映异构体。

  公开号：

  WO2019086712A1

文献信息

• Xanthine derivatives and uses thereof as inhibitors of bromodomains of BET proteins
  申请人：Centre national de la recherche scientifique

  公开号：US11180510B2

  公开（公告）日：2021-11-23

  The present invention relates to a compound having the following formula (I): (I) wherein: —R is a (C1-C6)alkyl group; —R″ is preferably H; —Ar is a (C5-C12)arylene radical; —X1 is —C(═O)—or —SO2—; and —R′ is chosen from the group consisting of possibly substituted (C1-C6)alkyl, heteroaryl, (C5-C12)aryl, and (hetero)cycloalkyl groups, or a pharmaceutically acceptable salt and/or tautomeric form thereof, or its racemates, diastereomers or enantiomers.

  本发明涉及一种具有下式(I)的化合物：(I) 其中-R是(C1-C6)烷基；-R″最好是H；-Ar是(C5-C12)芳基；-X1是-C(═O)-或-SO2-；以及-R′选自可能取代的(C1-C6)烷基、杂芳基、(C5-C12)芳基和(杂)环烷基组成的组，或其药学上可接受的盐和/或同分异构体形式，或其外消旋体、非对映异构体或对映体。
• XANTHINE DERIVATIVES AND USES THEREOF AS INHIBITORS OF BROMODOMAINS OF BET PROTEINS
  申请人：Centre National de la Recherche Scientifique

  公开号：EP3707139A1

  公开（公告）日：2020-09-16
• [EN] NOVEL HETEROARYL DERIVATIVES AS ANTAGONISTS OF ADENOSINE A3 RECEPTOR<br/>[FR] NOUVEAUX DÉRIVÉS HÉTÉROARYLE SERVANT D'ANTAGONISTES DU RÉCEPTEUR A3 DE L'ADÉNOSINE
  申请人：ADDEX PHARMACEUTICALS SA

  公开号：WO2009010871A2

  公开（公告）日：2009-01-22

  The present invention relates to novel compounds of Formula (I), wherein X1, X2, X3, X4, Y1, Y2, Y3, Y4, M1, M2, M3, Am and Bn are defined as in Formula (I); invention compounds are antagonists of adenosine receptors - subtype 3 (A3) which are useful for the treatment or disorders modulated by A3 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 A3 is involved.