2-(1H-吡唑-1-基)苯甲酰胺 | 25660-61-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(1H-吡唑-1-基)苯甲酰胺
• 英文名称: 2-pyrazol-1-yl-benzamide
• 英文别名: o-(Pyrazol-1-yl)-benzamid；2-(1H-Pyrazol-1-YL)benzamide；2-pyrazol-1-ylbenzamide
• CAS: 25660-61-1
• 化学式: C₁₀H₉N₃O
• 分子量: 187.201
• InChiKey: FMQXTGYSIGNCPG-UHFFFAOYSA-N

物化性质

• 沸点：
  366.2±25.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(1H-吡唑-1-基)苯甲酰胺 在 硼烷四氢呋喃络合物 作用下， 反应 2.0h， 生成 2-(1-吡唑基)苄胺
  参考文献：
  名称：

  Discovery and Evaluation of Potent P₁ Aryl Heterocycle-Based Thrombin Inhibitors

  摘要：

  In an effort to discover potent, clinically useful thrombin inhibitors, a rapid analogue synthetic approach was used to explore the P-1 region. Various benzylamines were coupled to a pyridine/pyrazinone P-2-P-3 template. One compound with an o-thiadiazole benzylic substitution was found to have a thrombin K-i of 0.84 nM. A study of ortho-substituted five-membered-ring heterocycles was undertaken and subsequently demonstrated that the o-triazole and tetrazole rings were optimal. Combination of these potent P-1 aryl heterocycles with a variety of P-2-P-3 groups produced a compound with an extraordinary thrombin inhibitory activity of 1.4 pM. It is hoped that this potency enhancement in P-1 will allow for more diversification in the P-2-P-3 region to ultimately address additional pharmacological concerns.

  DOI：

  10.1021/jm030303e
• 作为产物：
  描述：

  2-肼基苯甲酸盐酸盐 在 N,N-二异丙基乙胺 盐酸 、 N-羟基-7-氮杂苯并三氮唑 、 氯化铵 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 2-(1H-吡唑-1-基)苯甲酰胺
  参考文献：
  名称：

  Discovery and Evaluation of Potent P₁ Aryl Heterocycle-Based Thrombin Inhibitors

  摘要：

  In an effort to discover potent, clinically useful thrombin inhibitors, a rapid analogue synthetic approach was used to explore the P-1 region. Various benzylamines were coupled to a pyridine/pyrazinone P-2-P-3 template. One compound with an o-thiadiazole benzylic substitution was found to have a thrombin K-i of 0.84 nM. A study of ortho-substituted five-membered-ring heterocycles was undertaken and subsequently demonstrated that the o-triazole and tetrazole rings were optimal. Combination of these potent P-1 aryl heterocycles with a variety of P-2-P-3 groups produced a compound with an extraordinary thrombin inhibitory activity of 1.4 pM. It is hoped that this potency enhancement in P-1 will allow for more diversification in the P-2-P-3 region to ultimately address additional pharmacological concerns.

  DOI：

  10.1021/jm030303e

文献信息

• [EN] ETHYLDIAMINE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] ÉTHYLÈNE DIAMINE EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE L'HYPOCRÉTINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2016100161A1

  公开（公告）日：2016-06-23

  The present invention is directed to ethyldiamne compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及对促进素受体的拮抗剂乙二胺化合物。本发明还涉及所述化合物在潜在的治疗或预防涉及促进素受体的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在的预防或治疗涉及促进素受体的疾病中的用途。
• [EN] CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS<br/>[FR] DÉRIVÉS DE CYCLOPENTYLBENZAMIDE ET LEUR UTILISATION POUR LE TRAITEMENT DE TROUBLES PSYCHOTIQUES OU COGNITIFS
  申请人：TAKEDA CAMBRIDGE LTD

  公开号：WO2015055994A1

  公开（公告）日：2015-04-23

  The present invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein n, L, X, Ra, Rb, R1, R2 and R3 their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了式（I）的化合物及其药用盐，其中n，L，X，Ra，Rb，R1，R2和R3，它们的制备，含有它们的药物组合物以及它们在治疗中的用途。
• Thrombin inhibitors
  申请人：——

  公开号：US20020193398A1

  公开（公告）日：2002-12-19

  Compounds of the invention are useful in inhibiting thrombin and treating blood coagulation and cardiovascular disorders and have the following structure: 1 wherein R 3 is hydrogen or halogen, and u is N or CH.

  该发明的化合物在抑制凝血酶、治疗血液凝固和心血管疾病方面具有用处，并具有以下结构： 1 其中 R 3 为氢或卤素，u为N或CH。
• Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia
  申请人：Blackaby Peter Wesley

  公开号：US20060276655A1

  公开（公告）日：2006-12-07

  The present invention provides compounds of formula I: wherein R 1 is an alkyl, phenyl, heterocyclyl, cycloalkyl, alkoxy, ester, amino or amide group; R 2 is a phenyl, heterocyclyl, alkyl, cycloalkyl or cycloalkylalkyl group; R 3 is an alkyl, cycloalkyl, cycloalkylalkyl, amino or heterocyclyl group; R 4 and R 5 are hydrogen or alkyl or form a cycloalkyl ring; A is O or N; and m is zero or one; as inhibitors of GlyT1 and thus as useful for treating or preventing diseases such as schizophrenia; with the provision of pharmaceutical compositions, first and second medical uses and methods of treatment.

  本发明提供了化合物的结构如下：其中R1为烷基、苯基、杂环烷基、环烷基、烷氧基、酯基、氨基或酰胺基；R2为苯基、杂环烷基、烷基、环烷基或环烷基烷基；R3为烷基、环烷基、环烷基烷基、氨基或杂环烷基；R4和R5为氢或烷基或形成环烷基环；A为氧或氮；m为零或一；作为GlyT1的抑制剂，因此可用于治疗或预防精神分裂症等疾病；并提供了药物组合物、第一和第二医用途以及治疗方法。
• [EN] BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS<br/>[FR] AGENTS THÉRAPEUTIQUES - 802
  申请人：ASTRAZENECA AB

  公开号：WO2009047558A1

  公开（公告）日：2009-04-16

  A compound of formula (I) or a pharmaceutically acceptable salt thereof in which R1, R2 , R3, R4 and m are as described in the specification for use in the treatment of obesity and/or diabetes.

  化合物的分子式（I）或其药用盐，其中R1、R2、R3、R4和m如说明书中所述，用于治疗肥胖和/或糖尿病。