1-[4-Chloro-2,6-diisopropyl-phenyl]-3-[2-fluoro-5-(2-methyl-(1,3)dioxolan-2-yl)-benzenesulfonyl]-urea

• 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: 1-[4-Chloro-2,6-diisopropyl-phenyl]-3-[2-fluoro-5-(2-methyl-(1,3)dioxolan-2-yl)-benzenesulfonyl]-urea
• 英文别名: 1-(4-Chloro-2,6-diisopropyl-phenyl)-3-(2-fluoro-5-(2-methyl-[1,3]-dioxolan-2-yl)-benzenesulfonyl]-urea；1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-[2-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)phenyl]sulfonylurea
• 化学式: C₂₃H₂₈ClFN₂O₅S
• 分子量: 499.003
• InChiKey: YAJHGUJUZWRUCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide 、 5-chloro-2-isocyanato-1,3-diisopropylbenzene 生成 1-[4-Chloro-2,6-diisopropyl-phenyl]-3-[2-fluoro-5-(2-methyl-(1,3)dioxolan-2-yl)-benzenesulfonyl]-urea
  参考文献：
  名称：

  Sulfonyl urea derivatives and their use in the control of interleukin-1 activity

  摘要：

  一种化合物的公式，其中R1和R2的定义如上所述，可用于治疗和改善选择的病症包括脑膜炎和输卵管炎、脓毒症、弥漫性血管内凝血、成人呼吸窘迫综合症、急性或慢性炎症、关节炎、胆管炎、结肠炎、脑炎、心内膜炎、肾小球肾炎、肝炎、心肌炎、胰腺炎、心包炎、再灌注损伤、血管炎、急性和迟发性过敏、移植排斥和移植物抗宿主病、自身免疫疾病，包括1型糖尿病和多发性硬化症、牙周病、间质性肺纤维化、肝硬化、全身性硬化、瘢痕形成、产生IL-1作为自分泌生长因子的肿瘤、消瘦症、阿尔茨海默病、振动伤害、抑郁症、动脉粥样硬化、哺乳动物，包括人类的骨质疏松症。

  公开号：

  US06433009B1

文献信息

• 4-Substituted furan-2-sulfonamide and its use in the preparation of sulfonyl urea derivatives
  申请人：PFIZER INC.

  公开号：EP1270565A1

  公开（公告）日：2003-01-02

  The invention relates to a compound, 4-(1-hydroxy-1-methyl-ethyl)furan-2-sulfonamide, and its use as an intermediate in the preparation of a compound of the formula wherein R1 and R2 are as defined in the description, useful in the treatment and condition selected from the group consisting of meningitis and salpingitis, septic shock, disseminated intravascular coagulation, and/or adult respiratory distress syndrome, acute or chronic inflammation, arthritis, cholangitis, colitis, encephalitis, endocarditis, glomerulonephritis, hepatitis, myocarditis, pancreatitis, pericarditis, reperfusion injury, vasculitis, acute and delayed hypersensitivity, graft rejection, and graft-versus-host disease, auto-immune diseases including Type 1 diabetes mellitus and multiple sclerosis, periodonate diseases, interstitial pulmonary fibrosis, cirrhosis, systemic sclerosis, keloid formation, tumors which produce IL-1 as an autocrine growth factor, cachexia, Alzheimers disease, percussion injury, depression, atherosclerosis (including cardiomyopathy, myocarditis and heart failure) and osteoporosis in a mammal, including a human.

  本发明涉及一种化合物，4-(1-羟基-1-甲基-乙基)呋喃-2-磺酰胺，及其在制备 式化合物中作为中间体的用途，其中 R1 和 R2 如描述中所定义。 其中 R1 和 R2 如描述中所定义，可用于治疗选自以下组别的疾病：脑膜炎和输卵管炎、脓毒性休克、弥散性血管内凝血和/或成人呼吸窘迫综合征、急性或慢性炎症、关节炎、胆管炎、结肠炎、脑炎、心内膜炎、肾小球肾炎、肝炎、心肌炎、胰腺炎、心包炎、再灌注损伤、血管炎、急性和迟发性超敏反应、移植物排斥和移植物抗宿主疾病、自身免疫性疾病（包括 1 型糖尿病和多发性硬化症）、牙周病、间质性肺纤维化、肝硬化、系统性硬化症、瘢痕疙瘩的形成、产生 IL-1 作为自分泌生长因子的肿瘤、恶病质、老年痴呆症、叩击伤、抑郁症、动脉粥样硬化（包括心肌病、心肌炎和心力衰竭）以及哺乳动物（包括人类）骨质疏松症。
• NLRP3 inhibitors for the treatment of inflammatory skin disorders
  申请人：GALDERMA RESEARCH & DEVELOPMENT

  公开号：US10857123B2

  公开（公告）日：2020-12-08

  The use of an NLRP3 inhibitor compound is described in the treatment of inflammatory skin disorders, in particular psoriasis and atopic dermatitis.

  NLRP3 抑制剂化合物用于治疗炎症性皮肤病，特别是牛皮癣和特应性皮炎。
• Sulfonylureas and related compounds and use of same
  申请人：THE UNIVERSITY OF QUEENSLAND

  公开号：US11130731B2

  公开（公告）日：2021-09-28

  The present invention provides for certain sulfonyl ureas and related compounds which have advantageous properties and show useful activity in the inhibition of activation of the NLRP3 inflammasome. Such compounds are useful in the treatment of a wide range of disorders in which the inflammation process, or more specifically the NLRP3 inflammasome, have been implicated as being a key factor.

  本发明提供了某些磺酰脲类及相关化合物，它们在抑制 NLRP3 炎性体活化方面具有优势特性并显示出有用的活性。此类化合物可用于治疗多种疾病，在这些疾病中，炎症过程或更具体地说是 NLRP3 炎症体被认为是一个关键因素。
• Combination of an IL-1/18 inhibitor with a TNF inhibitor for the treatment of inflammation
  申请人：Pfizer Inc.

  公开号：US20030143230A1

  公开（公告）日：2003-07-31

  The invention relates to compositions and methods for treating or preventing inflammation, including rheumatoid arthritis (RA). The method comprises administering to mammals in need thereof an effective amount of a composition containing an agent that inhibits IL-1/18 combination with a TNF inhibitor.

  本发明涉及治疗或预防炎症，包括类风湿性关节炎（RA）的组合物和方法。该方法包括向有需要的哺乳动物施用有效量的组合物，该组合物含有抑制 IL-1/18 的制剂与 TNF 抑制剂。
• SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY
  申请人：PFIZER INC.

  公开号：EP0964849B1

  公开（公告）日：2003-06-04