diflapolin

• 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: diflapolin
• 英文别名: 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-(3,4-dichlorophenyl)urea
• 化学式: C₂₂H₁₇Cl₂N₃O₂S
• 分子量: 458.368
• InChiKey: FGXLEECGXSDIMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  30
• 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：
  91.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氯甲基-1,3-苯并噻唑 在 氢气 、 sodium carbonate 、 caesium carbonate 、 potassium iodide 作用下， 以 四氢呋喃 、 乙醇 、 丙酮 为溶剂， 20.0 ℃ 、275.8 kPa 条件下， 反应 2.7h， 生成 diflapolin
  参考文献：
  名称：

  N,N' -DIARYLUREA, N,N' -DIARYLTHIOUREA AND N,N' -DIARYLGUANIDINO COMPOUNDS FOR USE IN TREATMENT AND PREVENTION OF INFLAMMATORY DISEASE

  摘要：

  根据公式I，其中L为CH2-O，CH2-S，CH2-CH2或CH=CH；R1和R2分别选择自H，卤素，C1到C3烷基，卤代C1到C3烷基，C1到C3烷氧基，或卤代C1到C3烷氧基；Ar为芳基，最好为苯基或萘基，或者是单环或双环杂环芳基，其中芳基或杂环芳基可以进一步取代；X为O，S或NR3，其中R3为H，C1到C3烷基，卤代C1到C3烷基，或叔丁氧羰基；Y为O，S，NR4或N（R4）R5，其中R4和R5分别选择自H或C1到C3烷基；如果Y为O，S或NR4，则两个A均为NH，点线表示与Y形成双键，与每个A形成单键；如果Y为N（R4）R5，则一个A为N，另一个A为NH，点线表示与A为N形成双键，与A为NH形成单键，与Y形成单键；该化合物在治疗或预防炎症性疾病或与炎症相关的疾病中的用途。

  公开号：

  EP3315495A1

文献信息

• [EN] DUAL INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE AND 5-LIPOXYGENASE<br/>[FR] INHIBITEURS DOUBLES D'ÉPOXYDE HYDROLASE SOLUBLE ET DE 5-LIPOXYGÉNASE
  申请人：JOHANN WOLFGANG GOETHE UNIV FRANKFURT AM MAIN

  公开号：WO2021214048A1

  公开（公告）日：2021-10-28

  The invention pertains to a novel structure (I) that provides an activity as a dual inhibitor of the enzymes soluble epoxide hydrolase (sEH) and 5-lipoxygenase (5-LOX). The invention pertains to multiple derivatives of the new class of dual inhibitors, their application in medicine, pharmaceutical compositions comprising them as well as to methods for synthesizing the new compounds.

  该发明涉及一种新型结构（I），作为可溶性环氧酰水解酶（sEH）和5-脂氧化酶（5-LOX）的双重抑制剂提供活性。该发明涉及新型双重抑制剂类的多个衍生物，它们在医学中的应用，包含它们的制药组合物，以及合成新化合物的方法。
• [EN] N,N'-DIARYLUREA, N,N'-DIARYLTHIOUREA AND N,N'-DIARYLGUANIDINO COMPOUNDS FOR USE IN TREATMENT AND PREVENTION OF INFLAMMATORY DISEASE<br/>[FR] COMPOSÉS DE N,N'-DIARYLURÉA, N,N'-DIARYLTHIOURÉA ET N,N'-DIARYLGUANIDINO POUR UTILISATION DANS LE TRAITEMENT ET LA PRÉVENTION D'UNE MALADIE INFLAMMATOIRE
  申请人：UNIV INNSBRUCK

  公开号：WO2018077898A1

  公开（公告）日：2018-05-03

  A compound according to formula (I) wherein L is CH2−O, CH2−S, CH2−CH2, or CH=CH; R1 and R2 are independently selected out of H, halogen, C1 to C3 alkyl, halogenated C1 to C3 alkyl, C1 to C3 alkyloxy, or halogenated C1 to C3 alkyloxy; Ar is an aryl moiety, preferably phenyl or naphthyl, or a moncyclic- or bicyclic heteroaryl moiety, wherein optionally the aryl or heteroaryl moiety is further substituted; X is O, S, or NR3, wherein R3 is H, C1 to C3 alkyl, halogenated C1 to C3 alkyl, or tert-butyloxycarbonyl; Y is O, S, NR4 or N(R4)R5, wherein R4 and R5 are independently selected out of H or C1 to C3 alkyl; and wherein if Y is O, S, or NR4, then both A are NH, and the punctuated bonds represent a double bond to Y and single bonds to each A; or wherein if Y is N(R4)R5, then one A is N, the other A is NH, and the punctuated bonds represent a double bond to the A being N, a single bond to the A being NH and a single bond to Y; and use of such a compound in treatment or prevention of an inflammatory disease or an inflammation-related disorder.
• N,N' -DIARYLUREA, N,N' -DIARYLTHIOUREA AND N,N' -DIARYLGUANIDINO COMPOUNDS FOR USE IN TREATMENT AND PREVENTION OF INFLAMMATORY DISEASE
  申请人：Universität Innsbruck

  公开号：EP3315495A1

  公开（公告）日：2018-05-02

  A compound according to formula I wherein L is CH2-O, CH2-S, CH2-CH2, or CH=CH; R1 and R2 are independently selected out of H, halogen, C1 to C3 alkyl, halogenated C1 to C3 alkyl, C1 to C3 alkyloxy, or halogenated C1 to C3 alkyloxy; Ar is an aryl moiety, preferably phenyl or naphthyl, or a moncyclic- or bicyclic heteroaryl moiety, wherein optionally the aryl or heteroaryl moiety is further substituted; X is O, S, or NR3, wherein R3 is H, C1 to C3 alkyl, halogenated C1 to C3 alkyl, or tert-butyloxycarbonyl; Y is O, S, NR4 or N(R4)R5, wherein R4 and R5 are independently selected out of H or C1 to C3 alkyl; and wherein if Y is O, S, or NR4, then both A are NH, and the punctuated bonds represent a double bond to Y and single bonds to each A; or wherein if Y is N(R4)R5, then one A is N, the other A is NH, and the punctuated bonds represent a double bond to the A being N, a single bond to the A being NH and a single bond to Y; and use of such a compound in treatment or prevention of an inflammatory disease or an inflammation-related disorder.

  根据公式I，其中L为CH2-O，CH2-S，CH2-CH2或CH=CH；R1和R2分别选择自H，卤素，C1到C3烷基，卤代C1到C3烷基，C1到C3烷氧基，或卤代C1到C3烷氧基；Ar为芳基，最好为苯基或萘基，或者是单环或双环杂环芳基，其中芳基或杂环芳基可以进一步取代；X为O，S或NR3，其中R3为H，C1到C3烷基，卤代C1到C3烷基，或叔丁氧羰基；Y为O，S，NR4或N（R4）R5，其中R4和R5分别选择自H或C1到C3烷基；如果Y为O，S或NR4，则两个A均为NH，点线表示与Y形成双键，与每个A形成单键；如果Y为N（R4）R5，则一个A为N，另一个A为NH，点线表示与A为N形成双键，与A为NH形成单键，与Y形成单键；该化合物在治疗或预防炎症性疾病或与炎症相关的疾病中的用途。