benzyl-(6-chloro-2-methanesulfonylpyrimidin-4-yl)amine | 1337567-00-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl-(6-chloro-2-methanesulfonylpyrimidin-4-yl)amine
• 英文别名: N-benzyl-6-chloro-2-(methylsulfonyl)pyrimidin-4-amine；N-benzyl-6-chloro-2-methylsulfonylpyrimidin-4-amine
• CAS: 1337567-00-6
• 化学式: C₁₂H₁₂ClN₃O₂S
• 分子量: 297.765
• InChiKey: FURLVPJMHPQJPS-UHFFFAOYSA-N

物化性质

• 沸点：
  523.6±58.0 °C(Predicted)
• 密度：
  1.419±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  80.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzyl-(6-chloro-2-methanesulfonylpyrimidin-4-yl)amine 在 copper(l) iodide 、 三氟化硼乙醚 、 溴 、 溶剂黄146 、 乙二胺 、 肼 作用下， 以 1,4-二氧六环 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.75h， 生成 N4,N6-dibenzyl-5-bromo-2-(5-chloro-3-(2,3,6-trifluorobenzyl)-1H-indazol-1-yl)pyrimidine-4,6-diamine
  参考文献：
  名称：

  [EN] SOLUBLE GUANYLATE CYCLASE ACTIVATORS
  [FR] ACTIVATEURS DE GUANYLATE CYCLASE SOLUBLES

  摘要：

  该发明涉及具有结构式（I）的化合物及其药用可接受盐，这些化合物是可溶性鸟苷酸环化酶激活剂。这些化合物能够调节人体对环鸟苷酸单磷酸（"cGMP"）的产生，并一般适用于治疗和预防与紊乱的cGMP平衡相关的疾病。这些化合物可用于治疗或预防心血管疾病、内皮功能障碍、舒张功能障碍、动脉粥样硬化、高血压、肺动脉高压、心绞痛、血栓形成、再狭窄、心肌梗死、中风、心功能不全、肺动脉高压、勃起功能障碍、支气管哮喘、慢性肾功能不全、糖尿病或肝硬化。

  公开号：

  WO2011119518A1
• 作为产物：
  描述：

  N-benzyl-6-chloro-2-methylthiopyrimidin-4-amine 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.67h， 生成 benzyl-(6-chloro-2-methanesulfonylpyrimidin-4-yl)amine
  参考文献：
  名称：

  [EN] SOLUBLE GUANYLATE CYCLASE ACTIVATORS
  [FR] ACTIVATEURS DE GUANYLATE CYCLASE SOLUBLES

  摘要：

  该发明涉及具有结构式（I）的化合物及其药用可接受盐，这些化合物是可溶性鸟苷酸环化酶激活剂。这些化合物能够调节人体对环鸟苷酸单磷酸（"cGMP"）的产生，并一般适用于治疗和预防与紊乱的cGMP平衡相关的疾病。这些化合物可用于治疗或预防心血管疾病、内皮功能障碍、舒张功能障碍、动脉粥样硬化、高血压、肺动脉高压、心绞痛、血栓形成、再狭窄、心肌梗死、中风、心功能不全、肺动脉高压、勃起功能障碍、支气管哮喘、慢性肾功能不全、糖尿病或肝硬化。

  公开号：

  WO2011119518A1

文献信息

• SOLUBLE GUANYLATE CYCLASE ACTIVATORS
  申请人：Schmidt Darby

  公开号：US20130012511A1

  公开（公告）日：2013-01-10

  The invention relates to compounds having the structure of Formula (I) and pharmaceutically acceptable salts thereof, which are soluble guanylate cyclase activators. The compounds are capable of modulating the body's production of cyclic guanosine monophosphate (“cGMP”) and are generally suitable for the therapy and prophylaxis of diseases which are associated with a disturbed cGMP balance. The compounds are useful for treatment or prevention of cardiovascular diseases, endothelial dysfunction, diastolic dysfunction, atherosclerosis, hypertension, pulmonary hypertension, angina pectoris, thromboses, restenosis, myocardial infarction, strokes, cardiac insufficiency, pulmonary hypertonia, erectile dysfunction, asthma bronchiale, chronic kidney insufficiency, diabetes, or cirrhosis of the liver.
• US9284301B2
  申请人：——

  公开号：US9284301B2

  公开（公告）日：2016-03-15
• Discovery of 2-(Cyclohexylmethylamino)pyrimidines as a New Class of Reversible Valosine Containing Protein Inhibitors
  作者：Giovanni Cervi、Paola Magnaghi、Daniela Asa、Nilla Avanzi、Alessandra Badari、Daniela Borghi、Michele Caruso、Alessandra Cirla、Liviana Cozzi、Eduard Felder、Arturo Galvani、Fabio Gasparri、Antonio Lomolino、Steven Magnuson、Beatrice Malgesini、Ilaria Motto、Maurizio Pasi、Simona Rizzi、Barbara Salom、Graziella Sorrentino、Sonia Troiani、Barbara Valsasina、Thomas O’Brien、Antonella Isacchi、Daniele Donati、Roberto D’Alessio

  DOI：10.1021/jm501313x

  日期：2014.12.26

  Valosine-containing protein (VCP), also known as p97 or cdc48 in yeast, is a highly abundant protein belonging to the AAA ATPase family involved in a number of essential cellular functions, including ubiquitin-proteasome mediated protein degradation, Golgi reassembly, transcription activation, and cell cycle control. Altered expression of VCP has been detected in many cancer types sometimes associated with poor prognosis. Furthermore, VCP mutations are causative of some neurodegenerative disorders. In this paper we report the discovery, synthesis, and structure-activity relationships of substituted 2-aminopyrimidines, representing a new class of reversible VCP inhibitors. This class of compounds, identified in a HTS campaign against recombinant VCP, has been progressively expanded and manipulated to increase biochemical potency and gain cellular activity.
• [EN] SOLUBLE GUANYLATE CYCLASE ACTIVATORS<br/>[FR] ACTIVATEURS DE GUANYLATE CYCLASE SOLUBLES
  申请人：MERCK SHARP & DOHME

  公开号：WO2011119518A1

  公开（公告）日：2011-09-29

  The invention relates to compounds having the structure of Formula (I) and pharmaceutically acceptable salts thereof, which are soluble guanylate cyclase activators. The compounds are capable of modulating the body's production of cyclic guanosine monophosphate ("cGMP") and are generally suitable for the therapy and prophylaxis of diseases which are associated with a disturbed cGMP balance. The compounds are useful for treatment or prevention of cardiovascular diseases, endothelial dysfunction, diastolic dysfunction, atherosclerosis, hypertension, pulmonary hypertension, angina pectoris, thromboses, restenosis, myocardial infarction, strokes, cardiac insufficiency, pulmonary hypertonia, erectile dysfunction, asthma bronchiale, chronic kidney insufficiency, diabetes, or cirrhosis of the liver.

  该发明涉及具有结构式（I）的化合物及其药用可接受盐，这些化合物是可溶性鸟苷酸环化酶激活剂。这些化合物能够调节人体对环鸟苷酸单磷酸（"cGMP"）的产生，并一般适用于治疗和预防与紊乱的cGMP平衡相关的疾病。这些化合物可用于治疗或预防心血管疾病、内皮功能障碍、舒张功能障碍、动脉粥样硬化、高血压、肺动脉高压、心绞痛、血栓形成、再狭窄、心肌梗死、中风、心功能不全、肺动脉高压、勃起功能障碍、支气管哮喘、慢性肾功能不全、糖尿病或肝硬化。