N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-2-(2,4-dichlorophenoxy)acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-2-(2,4-dichlorophenoxy)acetamide
• 化学式: C₂₃H₁₈Cl₂N₂O₃S
• 分子量: 473.4
• InChiKey: WTNNKNUBLRCURZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  88.7
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [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.