3-{6-(4-fluorophenyl)-4-[(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)amino]-2-(trifluoromethyl)pyrimidin-5-yl}benzenesulfonamide | 1050350-33-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-{6-(4-fluorophenyl)-4-[(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)amino]-2-(trifluoromethyl)pyrimidin-5-yl}benzenesulfonamide
• 英文别名: 3-[4-(4-Fluorophenyl)-6-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide
• CAS: 1050350-33-8
• 化学式: C₂₂H₁₅F₄N₅O₄S
• 分子量: 521.452
• InChiKey: YVEAXGHCGAMSDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  144
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  柠康酸酐 、 3-(4-(4-fluorophenyl)-6-hydrazineyl-2-(trifluoromethyl)pyrimidin-5-yl)benzenesulfonamide 以 氯仿 为溶剂， 反应 18.0h， 以38.2%的产率得到3-{6-(4-fluorophenyl)-4-[(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)amino]-2-(trifluoromethyl)pyrimidin-5-yl}benzenesulfonamide
  参考文献：
  名称：

  [EN] NOVEL HETEROCYCLES
  [FR] NOUVEAUX HÉTÉROCYCLES

  摘要：

  公开号：

  WO2009095773A8

文献信息

• Novel heterocycles
  申请人：Srinivas Akella Satya Surya Visweswara

  公开号：US20080207606A1

  公开（公告）日：2008-08-28

  Novel heterocyclic compounds of the general formula (I), their derivatives, analogs, tautomeric forms, stereoisomers, polymorphs, hydrates, solvates, pharmaceutically acceptable salts, pharmaceutical compositions, metabolites and prodrugs thereof are described. These compounds are useful in the treatment of immunological diseases, inflammation, pain disorder, rheumatoid arthritis; osteoporosis; multiple myeloma; uveititis; acute and chronic myelogenous leukemia; atherosclerosis; cancer; cachexia; ischemic-induced cell-damage; pancreatic beta cell destruction; osteoarthritis; rheumatoid spondylitis; gouty arthritis; inflammatory bowel disease; adult respiratory distress syndrome (ARDS); psoriasis; Crohn's disease; allergic rhinitis; ulcerative colitis; anaphylaxis; contact dermatitis; muscle degeneration; asthma; COPD; bone resorption diseases; multiple sclerosis; sepsis; septic shock; toxic shock syndrome and fever. More particularly these compounds are useful as PDE4 inhibitors, and useful for treating PDE4 mediated diseases.

  本发明涉及一般式(I)的新异环化合物及其衍生物、类似物、互变异构体、立体异构体、多晶体、水合物、溶剂物、药学上可接受的盐、药物组合物、代谢物和其前药。这些化合物在治疗免疫性疾病、炎症、疼痛障碍、类风湿性关节炎、骨质疏松症、多发性骨髓瘤、葡萄膜炎、急性和慢性髓系白血病、动脉粥样硬化、癌症、消瘦症、缺血性细胞损伤、胰岛β细胞破坏、骨关节炎、类风湿脊柱炎、痛风性关节炎、炎症性肠病、成人呼吸窘迫综合症（ARDS）、牛皮癣、克罗恩病、过敏性鼻炎、溃疡性结肠炎、过敏反应、接触性皮炎、肌肉退化、哮喘、慢性阻塞性肺病、骨吸收疾病、多发性硬化症、败血症、感染性休克、毒性休克综合征和发热等方面有用。特别地，这些化合物在作为PDE4抑制剂方面有用，并且在治疗PDE4介导的疾病方面有用。
• PYRIMIDINE COMPOUNDS AND THEIR USES
  申请人：Orchid Chemicals and Pharmaceuticals Limited

  公开号：US20130172350A1

  公开（公告）日：2013-07-04

  Pyrimidine compounds of the general formula (I), their derivatives, analogs, tautomeric forms, stereoisomers, polymorphs, hydrates, solvates, pharmaceutically acceptable salts, pharmaceutical compositions, metabolites and prodrugs thereof, are useful are useful as PDE4 inhibitors and are useful for treating PDE4 mediated diseases and in the treatment of immunological diseases, inflammation, pain disorder, rheumatoid arthritis; osteoporosis; multiple myeloma; uveititis; acute and chronic myelogenous leukemia; atherosclerosis; cancer; cachexia; ischemic-induced cell damage; pancreatic beta cell destruction; osteoarthritis; rheumatoid spondylitis; gouty arthritis; inflammatory bowel disease; ARDS; psoriasis; Crohn's disease; allergic rhinitis; ulcerative colitis; anaphylaxis; contact dermatitis; muscle degeneration; asthma; COPD; bone resorption diseases; multiple sclerosis; sepsis; septic shock; toxic shock syndrome and fever.

  通式为(I)的嘧啶化合物、其衍生物、类似物、互变异构体、立体异构体、多晶形、水合物、溶剂物、药学上可接受的盐、制药组合物、代谢产物和前药，可用作PDE4抑制剂，用于治疗PDE4介导的疾病，以及治疗免疫性疾病、炎症、疼痛障碍、类风湿性关节炎、骨质疏松症、多发性骨髓瘤、葡萄膜炎、急性和慢性髓性白血病、动脉粥样硬化、癌症、消瘦症、缺血性细胞损伤、胰岛β细胞破坏、骨关节炎、类风湿性脊柱炎、痛风性关节炎、炎症性肠病、ARDS、银屑病、克罗恩病、过敏性鼻炎、溃疡性结肠炎、过敏性休克、接触性皮炎、肌肉退化、哮喘、COPD、骨吸收疾病、多发性硬化症、败血症、脓毒症休克、毒性休克综合征和发热的治疗。
• NOVEL HETEROCYCLES
  申请人：Srinivas Visweswara Akella Satya Surya

  公开号：US20100329998A1

  公开（公告）日：2010-12-30

  Described are novel heterocyclic compounds of the general formula (I), their derivatives, analogs, tautomeric forms, stereoisomers, polymorphs, hydrates, solvates, pharmaceutically acceptable salts, pharmaceutical compositions, metabolites and prodrugs thereof. These compounds are useful in the treatment of immunological diseases, inflammation, pain disorder, rheumatoid arthritis; osteoporosis; multiple myeloma; uveititis; acute and chronic myelogenous leukemia; atherosclerosis; cancer; cachexia; ischemic-induced cell damage; pancreatic beta cell destruction; osteoarthritis; rheumatoid spondylitis; gouty arthritis; inflammatory bowel disease; ARDS; psoriasis; Crohn's disease; allergic rhinitis; ulcerative colitis; anaphylaxis; contact dermatitis; muscle degeneration; asthma; COPD; bone resorption diseases; multiple sclerosis; sepsis; septic shock; toxic shock syndrome and fever. More particularly these compounds are useful as PDE4 inhibitors and are useful for treating PDE4 mediated diseases.

  描述了一种新型杂环化合物的普遍式(I)，它们的衍生物、类似物、互变异构体、立体异构体、多晶形、水合物、溶剂物、药学上可接受的盐、制药组合物、代谢物和前药。这些化合物可用于治疗免疫性疾病、炎症、疼痛障碍、类风湿性关节炎、骨质疏松症、多发性骨髓瘤、葡萄膜炎、急性和慢性骨髓性白血病、动脉粥样硬化、癌症、消瘦、缺血性细胞损伤、胰岛β细胞破坏、骨关节炎、类风湿脊柱炎、痛风性关节炎、炎症性肠病、ARDS、牛皮癣、克罗恩病、过敏性鼻炎、溃疡性结肠炎、过敏性休克、接触性皮炎、肌肉退化、哮喘、COPD、骨吸收疾病、多发性硬化症、脓毒症、感染性休克、毒性休克综合征和发热。特别是这些化合物可用作PDE4抑制剂，用于治疗PDE4介导的疾病。
• US7863446B2
  申请人：——

  公开号：US7863446B2

  公开（公告）日：2011-01-04
• US8420653B2
  申请人：——

  公开号：US8420653B2

  公开（公告）日：2013-04-16