2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl chloride | 233755-70-9

• 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-(3-methyl-1H-pyrazol-1-yl)benzoyl chloride
• 英文别名: 2-chloro-4-(3-methyl-pyrazol-1-yl)-benzoyl chloride；4-(3-methyl-1-pyrazolyl)-2-chlorobenzoyl chloride；2-chloro-4-(3-methylpyrazol-1-yl)benzoyl chloride
• CAS: 233755-70-9
• 化学式: C₁₁H₈Cl₂N₂O
• 分子量: 255.103
• InChiKey: DRAJKDMPMIGCFG-UHFFFAOYSA-N

物化性质

• 沸点：
  369.3±37.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl chloride 在 氨 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 以1.3 g的产率得到2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzamide
  参考文献：
  名称：

  Identification, Optimization, and Pharmacology of Acylurea GHS-R1a Inverse Agonists

  摘要：

  Ghrelin plays a major physiological role in the control of food intake, and inverse agonists of the ghrelin receptor (GHS-R1a) are widely considered to offer utility as antiobesity agents by lowering the set-point for hunger between meals. We identified an acylurea series of ghrelin modulators from high throughput screening and optimized binding affinity through structure activity relationship studies. Furthermore, we identified specific substructural changes, which switched partial agonist activity to inverse agonist activity, and optimized physicochemical and DMPK properties to afford the non-CNS penetrant inverse agonist 22 (AZ-GHS-22) and the CNS penetrant inverse agonist 38 (AZ-GHS-38). Free feeding efficacy experiments showed that CNS exposure was necessary to obtain reduced food intake in mice, and it was demonstrated using GHS-R1a null and wild-type mice that this effect operates through a mechanism involving GHS-R1a.

  DOI：

  10.1021/jm500610n
• 作为产物：
  描述：

  2-氯-4-(3-甲基吡唑-1-基)苯甲酸甲酯 在 N-甲基吡咯烷酮 、 盐酸 、 氯化亚砜 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 2-chloro-4-(3-methyl-1H-pyrazol-1-yl)benzoyl chloride
  参考文献：
  名称：

  Novel Design of Nonpeptide AVP V₂ Receptor Agonists:  Structural Requirements for an Agonist Having 1-(4-Aminobenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine as a Template

  摘要：

  The discovery of a series of nonpeptide arginine vasopressin V-2 receptor agonists is described. After identifying the aniline derivative 8 as our lead compound from the metabolites of compound 7 that showed antidiuretic activity by po administration to Brattleboro rats, improvements in the in vitro potency involving evaluations of the structural requirements for agonist action and optimizing the structure of the benzoyl moiety have been intensively undertaken. These studies led to compounds leg, 19a, and 23b,h,i that show patent; agonist activity for the V-2 receptor.

  DOI：

  10.1021/jm000108p

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。
• Tricyclic vasopressin agonists
  申请人：Wyeth

  公开号：US06511974B1

  公开（公告）日：2003-01-28

  This invention relates to new compounds selected from those of the 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.

  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。
• Heterocyclic Beta-3 adrenergic receptor agonists
  申请人：American Home Products Corporation

  公开号：US20020022638A1

  公开（公告）日：2002-02-21

  This invention provides compounds of Formula I having the structure 1 wherein, 2 U, V, and W are as defined hereinbefore, or a pharmaceutically acceptable salt thereof, which are useful in treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia (typically associated with obesity or glucose intolerance), atherosclerosis, gastrointestinal disorders, neurogenetic inflammation, glaucoma, ocular hypertension and frequent urination; and are particularly useful in the treatment or inhibition of type II diabetes.

  这项发明提供了具有结构1的Formula I化合物，其中，U、V和W如前文所定义，或其药用盐，这些化合物在治疗或抑制与胰岛素抵抗或高血糖相关的代谢紊乱（通常与肥胖或葡萄糖不耐症相关）、动脉粥样硬化、胃肠道疾病、神经炎症、青光眼、眼压增高和频繁排尿方面具有用处；特别适用于治疗或抑制2型糖尿病。
• [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。
• 2,3,4,5-tetrahydro-1H-[1,4]-benzodiazepine-3-hydroxyamic acids
  申请人：American Cyanamid Company

  公开号：US06071903A1

  公开（公告）日：2000-06-06

  Compounds are provided having the following formula: ##STR1## wherein R, R.sub.1, R.sub.2, R.sub.3, and R.sub.4 are defined in the specification, which have matrix metalloproteinase inhibiting activity.

  提供具有以下公式的化合物：##STR1##其中R、R.sub.1、R.sub.2、R.sub.3和R.sub.4在说明书中定义，具有基质金属蛋白酶抑制活性。