4-(N-(3-bromophenyl)anilino)butanamide

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(N-(3-bromophenyl)anilino)butanamide
• 化学式: C₁₆H₁₇BrN₂O
• 分子量: 333.22
• InChiKey: ZGSYGPHDLBKQGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] METHODS AND USES OF MELATONIN LIGANDS<br/>[FR] PROCÉDÉS ET UTILISATIONS DE LIGANDS DE TYPE MÉLATONINE
  申请人：GOBBI GABRIELLA

  公开号：WO2015021535A1

  公开（公告）日：2015-02-19

  The disclosure provides methods and uses for alleviating and/or treating pain including pain disorders using melatonin ligands of Formula I: or pharmaceutically acceptable salts thereof wherein: n is 1 or 2; m is 0, 1 or 2; p is 0, 1, 2, 3, 4, 5, 6, 7 or 8; v is 2 or 3; A is aryl or heteroaryl; Z is 0, S or NR8; Y is chosen from hydrogen, aryl, heteroaryl, C1-C6 alkyl, C3-C6 cycloalkyl, and R is chosen from hydrogen, hydroxyl, -OCF3, CF3, C1-C8 alkyl, C1-C8 alkyloxy, C1-C8 alkylthio, halogen and -Z-(CH2)P-A; R1 is chosen from C1-C4 alkyl, C3-C6 cycloalkyl, CF3, hydroxy- substituted C1-C4 alkyl, hydroxy-substituted C3-C6 cycloalkyl, and NHR5, wherein R5 is H, C1-C3 alkyl or C3-C6 cycloalkyl; R2 is chosen from hydrogen, C1-C4 alkyl, C1-C4 alkyloxy, OCF3, CF3, hydroxyl, and halogen; R3 is chosen from hydrogen, C1-C4 alkyl, C1-C4 alkyloxy, OCF3, CF3, hydroxyl and halogen; R and R3 may be connected together to form an -0-(CH2)v bridge representing with the carbon atoms to which they are attached a 5- or 6-membered heterocyclic ring system; R4 is chosen from hydrogen, C1-C4 alkyl, C1-C4 alkyloxy, OCF3, CF3, hydroxyl, and halogen; R6 is chosen from hydrogen and C1-C4 alkyl; R7 is chosen from hydrogen, C1-C4 alkyl, C1-C4 alkyloxy, OCF3, CF3, hydroxyl and halogen; and R8 is chosen from hydrogen and C1-C4 alkyl.

  本文提供了使用公式I中的褪黑素配体或其药学上可接受的盐来缓解和/或治疗疼痛，包括疼痛性疾病的方法和用途，其中：n为1或2；m为0、1或2；p为0、1、2、3、4、5、6、7或8；v为2或3；A为芳基或杂环芳基；Z为0、S或NR8；Y选自氢、芳基、杂环芳基、C1-C6烷基、C3-C6环烷基，R选自氢、羟基、-O 、CF3、C1-C8烷基、C1-C8烷氧基、C1-C8烷硫基、卤素和-Z-(CH2)P-A；R1选自C1-C4烷基、C3-C6环烷基、 、羟基取代的C1-C4烷基、羟基取代的C3-C6环烷基和NHR5，其中R5为H、C1-C3烷基或C3-C6环烷基；R2选自氢、C1-C4烷基、C1-C4烷氧基、O 、 、羟基和卤素；R3选自氢、C1-C4烷基、C1-C4烷氧基、O 、 、羟基和卤素；R和R3可以连接在一起形成一个-0-( )v桥，代表它们附着的碳原子形成一个5-或6-成员杂环环系；R4选自氢、C1-C4烷基、C1-C4烷氧基、O 、 、羟基和卤素；R6选自氢和C1-C4烷基；R7选自氢、C1-C4烷基、C1-C4烷氧基、O 、 、羟基和卤素；R8选自氢和C1-C4烷基。