ethyl 5-[(dimethylamino)methyl]-1H-pyrazole-3-carboxylate | 1009621-23-1

• 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 5-[(dimethylamino)methyl]-1H-pyrazole-3-carboxylate
• CAS: 1009621-23-1
• 化学式: C₉H₁₅N₃O₂
• 分子量: 197.237
• InChiKey: RCAXOXXCOFBZOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  58.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 5-[(dimethylamino)methyl]-1H-pyrazole-3-carboxylate 生成 5-[(dimethylamino)methyl]-1H-pyrazole-3-carboxylic acid
  参考文献：
  名称：

  Agonist lead identification for the high affinity niacin receptor GPR109a

  摘要：

  A strategy for lead identification of new agonists of GPR109a, starting from known compounds shown to activate the receptor, is described. Early compound triage led to the formulation of a binding hypothesis and eventually to our focus on a series of pyrazole acid derivatives. Further elaboration of these compounds provided a series of 5,5-fused pyrazoles to be used as lead compounds for further optimization. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.028
• 作为产物：
  描述：

  (二甲氨基)丙酮 在 肼 作用下， 以 乙醇 为溶剂， 生成 ethyl 5-[(dimethylamino)methyl]-1H-pyrazole-3-carboxylate
  参考文献：
  名称：

  Agonist lead identification for the high affinity niacin receptor GPR109a

  摘要：

  A strategy for lead identification of new agonists of GPR109a, starting from known compounds shown to activate the receptor, is described. Early compound triage led to the formulation of a binding hypothesis and eventually to our focus on a series of pyrazole acid derivatives. Further elaboration of these compounds provided a series of 5,5-fused pyrazoles to be used as lead compounds for further optimization. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.028

文献信息

• WO2008/23157
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS<br/>[FR] COMPOSÉS ET LEUR UTILISATION
  申请人：ARGENTA DISCOVERY LTD

  公开号：WO2008023157A1

  公开（公告）日：2008-02-28

  [EN] A compound of formula (I): Formula (I) having M3 receptor- antagonist activity or having both muscarinic receptor antagonist and ß2-agonist activity; a composition comprising such a compound; the use of such a compound in therapy (such as asthma or COPD); and a method of treating a patient with such a compound.
  [FR] L'invention se rapporte à un composé de formule (I) présentant une activité antagoniste envers les récepteurs M3, ou à la fois une activité antagoniste envers les récepteurs muscariniques et une activité agoniste envers les récepteurs ß2. Cette invention concerne également une composition comprenant ledit composé; l'utilisation dudit composé à des fins de traitement (par exemple contre l'asthme ou une BPCO); et un procédé pour traiter un patient au moyen d'un tel composé.