2-chloro-4-(5-methylpyrazol-1-yl)benzoic acid methyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-chloro-4-(5-methylpyrazol-1-yl)benzoic acid methyl ester
• 英文别名: methyl 2-chloro-4-(5-methyl-1H-pyrazol-1-yl)benzoate；2-chloro-4-(5-methyl-1H-pyrazol-1-yl)-benzoic acid methyl ester；2-chloro-4-(5-methyl-1H-pyrazol-1-yl)benzoic acid methyl ester；Methyl 2-chloro-4-(5-methylpyrazol-1-yl)benzoate
• 化学式: C₁₂H₁₁ClN₂O₂
• 分子量: 250.685
• InChiKey: CMRLIROUSVFTQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氯-4-氟苯甲酸甲酯 以 N-甲基乙酰胺 、 3-甲基吡唑 为溶剂， 生成 2-chloro-4-(5-methylpyrazol-1-yl)benzoic acid methyl ester 、 2-氯-4-(3-甲基吡唑-1-基)苯甲酸甲酯
  参考文献：
  名称：

  Tricyclic vasopressin agonists

  摘要：

  这项发明涉及从一般式(I)的化合物中选出的新化合物，或其药用可接受的盐、酯或前药形式：其中D、E和G为N或CH，它们作为抗利尿素激动剂，可用于治疗疾病，如尿崩症、夜尿症、夜尿频、尿失禁、出血和凝血障碍，以及暂时延迟排尿的无能力，以及用于相同目的的制药组合物和方法。

  公开号：

  US06511974B1

文献信息

• Vasopressin agonist formulation and process
  申请人：American Cyanamid Company

  公开号：US06831079B1

  公开（公告）日：2004-12-14

  This invention provides novel formulations for vasopressin agonist compounds, or a pharmaceutically acceptable salt thereof, having the general structure: and processes for making them, the formulations comprising from about 1% to about 20% of active ingredient, from about 1% to about 18% of a surfactant component, from about 50% to about 80% of a component of one or more polyethylene glycols, from about 1% to about 20% of a component of one or more sucrose fatty acid esters and/or polyvinylpyrrolidone and, optionally, one or more preservatives or antioxidants.

  该发明提供了用于加压素激动剂化合物的新型配方，或其药用盐，具有以下一般结构：并提供制备它们的方法，所述配方包括约1%至约20%的活性成分，约1%至约18%的表面活性剂成分，约50%至约80%的一种或多种聚乙二醇成分，约1%至约20%的一种或多种蔗糖脂肪酸酯和/或聚乙烯吡咯烷酮成分，以及可选地，一种或多种防腐剂或抗氧化剂。
• [EN] TRICYCLIC VASOPRESSIN AGONISTS<br/>[FR] AGONISTES TRICYCLIQUES DE LA VASOPRESSINE
  申请人：AMERICAN HOME PRODUCTS CORPORATION

  公开号：WO1999006409A1

  公开（公告）日：1999-02-11

  (EN) This invention relates to new compounds selected from those of general formula (I), or a pharmaceutically acceptable salt, ester or prodrug form thereof, wherein D, E, and G are N or CH, which serve as vasopressin agonists and are useful in treating disorders such as diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, bleeding and coagulation disorders, and the inability to temporarily delay urination and pharmaceutical compositions and methods for same.(FR) La présente invention concerne de nouveaux composés sélectionnés dans le groupe constitué par les composés représentés par la formule (I) ou une forme de promédicament, de sel ou d'ester de ceux-ci, pharmaceutiquement acceptables, dans laquelle D, E et G représentent N ou CH servant d'agonistes de la vasopressine. Ces composés sont utilisés pour le traitement de troubles tels que le diabète insipide, l'énurésie nocturne, la nycturie, l'incontinence urinaire, le saignement, les troubles de la coagulation et l'impossibilité à retarder temporairement la miction. La présente invention concerne également des compositions pharmaceutiques et leurs procédés.

  该发明涉及从通式（I）的化合物中选择的新化合物，或其药学上可接受的盐、酯或前药形式，其中D、E和G为N或CH，它们作为加压素受体激动剂，可用于治疗疾病，如尿崩症、夜间遗尿、夜尿症、尿失禁、出血和凝血障碍以及暂时延迟排尿的无能症状，以及与此相关的制药组合物和方法。
• Urea derivative, medicinal composition containing the same, and medicinal use of these
  申请人：Suzuki Ritsu

  公开号：US20080161294A1

  公开（公告）日：2008-07-03

  Urea derivatives represented by the following general formula (I): which have an agonism of V2 receptor, are useful as agents for the treatment or prevention of diabetes insipidus, nocturia, nocturnal enuresis, overactive bladder or the like. In the formula, R 1 represents a hydrogen atom or a C 1-6 alkyl group which may have a substituent, R 2 is a hydrogen atom or a C 1-6 alkyl group, R 3 is a hydrogen atom, a C 1-6 alkyl group or the like, R 4 , R 5 and R 6 are independently a hydrogen atom, a halogen atom or the like, R 7 is a hydrogen atom, a heteroaryl group which may have a substituent, a C 3-8 cycloalkyl group, an amino group which may have a substituent or a C 1-6 alkoxy group which may have a substituted group, M 1 is a single bond, a C 1-4 alkylene group or the like, Y is N or CR F (in the formula, and R F represents a hydrogen atom, a C 1-6 alkyl group or the like, or pharmaceutically acceptable salts thereof, or prodrugs thereof, or pharmaceutical compositions comprising the same and pharmaceutical uses thereof.

  以下通式（I）所表示的尿素衍生物具有V2受体激动剂作用，可用于治疗或预防尿崩症、夜尿症、夜间遗尿、过度活动膀胱等疾病。在该通式中，R1表示氢原子或C1-6烷基，可以有取代基；R2表示氢原子或C1-6烷基；R3表示氢原子、C1-6烷基或类似物；R4、R5和R6独立地表示氢原子、卤素原子或类似物；R7表示氢原子、可以有取代基的杂环芳基、C3-8环烷基、可以有取代基的氨基或可以有取代基的C1-6烷氧基；M1表示单键、C1-4烷基等；Y表示N或CRF（在该式中，RF表示氢原子、C1-6烷基或类似物）；以及其药学上可接受的盐、前药或包含它们的制剂，以及其医药用途。
• Subtlety of the Structure−Affinity and Structure−Efficacy Relationships around a Nonpeptide Oxytocin Receptor Agonist
  作者：Marie-Céline Frantz、Jordi Rodrigo、Laure Boudier、Thierry Durroux、Bernard Mouillac、Marcel Hibert

  DOI：10.1021/jm901084f

  日期：2010.2.25

  Very Few nonpeptide oxytocin agonists have currently been reported, and none of them seem suitable for the in vivo investigation of the oxytocin mediated functions. In all attempt to rationalize the design of better tools, we have systematically studied the structural determinants of the affinity and efficacy of representative ligands of the V-1a, V-2, and OT receptor subtypes. Despite apparently obvious similarity between the ligand structures on one hand, and between the receptor subtypes on the other hand, the binding affinity and the functional activity profiles of truncated and hybrid ligands highlight the subtlety of ligand-receptor interactions for obtaining nonpeptide OT receptor agonists.
• TRICYCLIC VASOPRESSIN AGONISTS
  申请人：Wyeth

  公开号：EP1000059B1

  公开（公告）日：2004-09-29