N-methoxy-N,3-dimethyl-1H-pyrazole-5-carboxamide | 1034047-81-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-methoxy-N,3-dimethyl-1H-pyrazole-5-carboxamide
• 英文别名: N-methoxy-N,5-dimethyl-1H-pyrazole-3-carboxamide
• CAS: 1034047-81-8
• 化学式: C₇H₁₁N₃O₂
• mdl: MFCD26744246
• 分子量: 169.183
• InChiKey: OBZONWVAMQHJKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  58.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-methoxy-N,3-dimethyl-1H-pyrazole-5-carboxamide 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-(2,5-二甲基吡唑-3-基)乙酮
  参考文献：
  名称：

  Ago-allosteric modulators of human glucagon-like peptide 2 receptor

  摘要：

  Glucagon-like peptide 2 (GLP-2) is an intestinotropic peptide that binds to GLP-2 receptor (GLP-2R), a class-B G protein-coupled receptor (GPCR). Few synthetic agonists have been reported so far for class-B GPCRs. Here, we report the first scaffold compounds of ago-allosteric modulators for human GLP-2R, derived from methyl 2-{[(2Z)-2-(2,5-dichlorothiophen-3-yl)-2-(hydroxyimino) ethyl] sulfanyl}benzoate (compound 1). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.026
• 作为产物：
  描述：

  乙酰丙酮酸乙酯 在 1-羟基苯并三唑 、 一水合肼 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 N-methoxy-N,3-dimethyl-1H-pyrazole-5-carboxamide
  参考文献：
  名称：

  [EN] NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS
  [FR] NOUVEAUX AGONISTES DE RÉCEPTEURS ADRÉNERGIQUES BÊTA 3 DÉRIVÉS DE PYRROLIDINE

  摘要：

  本发明提供了式（I）的化合物，其药物组成物以及使用该药物组成物在治疗或预防由β3-肾上腺素受体激活介导的疾病的方法。

  公开号：

  WO2015050798A1

文献信息

• Substituted diazepine sulfonamides as bombesin receptor subtype-3 modulators
  申请人：Merck Sharp & Dohme Corp.

  公开号：US08153626B2

  公开（公告）日：2012-04-10

  Certain novel substituted diazepine sulfonamides are ligands of the human bombesin receptor and, in particular, are selective ligands of the human bombesin receptor subtype-3 (BRS-3). They are therefore useful for the treatment, control, or prevention of diseases and disorders responsive to the modulation of BRS-3, such as obesity, and diabetes.

  某些新型取代二氮杂环磺酰胺是人类炸弹素受体的配体，特别是人类炸弹素受体亚型-3 (BRS-3) 的选择性配体。因此，它们可用于治疗、控制或预防对BRS-3调节有响应的疾病和障碍，如肥胖症和糖尿病。
• NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS
  申请人：Barr Kenneth Jay

  公开号：US20160235727A1

  公开（公告）日：2016-08-18

  The present invention provides compounds of Formula (I), pharmaceutical compositions thereof, and method of us ing the same in the treatment or prevention of diseases mediated by the activation of β3-adrenoceptor.

  本发明提供了式（I）的化合物、其制药组合物以及使用它们治疗或预防由β3-肾上腺素受体激活介导的疾病的方法。
• SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS
  申请人：Baker Robert K.

  公开号：US20100317645A1

  公开（公告）日：2010-12-16

  Certain novel substituted diazepine sulfonamides are ligands of the human bombesin receptor and, in particular, are selective ligands of the human bombesin receptor subtype-3 (BRS-3). They are therefore useful for the treatment, control, or prevention of diseases and disorders responsive to the modulation of BRS-3, such as obesity, and diabetes.

  某些新型取代二氮杂环磺酰胺是人体炸弹素受体的配体，特别是人体炸弹素受体亚型-3（BRS-3）的选择性配体。因此，它们可用于治疗、控制或预防对BRS-3调节敏感的疾病和障碍，如肥胖和糖尿病。
• Core Refinement toward Permeable β-Secretase (BACE-1) Inhibitors with Low hERG Activity
  作者：Tobias Ginman、Jenny Viklund、Jonas Malmström、Jan Blid、Rikard Emond、Rickard Forsblom、Anh Johansson、Annika Kers、Fredrik Lake、Fernando Sehgelmeble、Karin J. Sterky、Margareta Bergh、Anders Lindgren、Patrik Johansson、Fredrik Jeppsson、Johanna Fälting、Ylva Gravenfors、Fredrik Rahm

  DOI：10.1021/jm3011349

  日期：2013.6.13

  By use of iterative design aided by predictive models for target affinity, brain permeability, and hERG activity, novel and diverse compounds based on cyclic amidine and guanidine cores were synthesized with the goal of finding BACE-1 inhibitors as a treatment for Alzheimer's disease. Since synthesis feasibility had low priority in the design of the cores, an extensive synthesis effort was needed to make the relevant compounds. Syntheses of these compounds are reported, together with physicochemical properties and structure-activity relationships based on in vitro data. Four crystal structures of diverse amidines binding in the active site are deposited and discussed. Inhibitors of BACE-1 with 3 mu M to 32 nM potencies in cells are shown, together with data on in vivo brain exposure levels for four compounds. The results presented show the importance of the core structure for the profile of the final compounds.
• SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2102201B1

  公开（公告）日：2010-10-13