N-{4-[4-(2,3-二氯苯基)-1-哌嗪基]丁基}-9H-芴-2-甲酰胺盐酸盐(1:1) | 189060-98-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 中文名称: N-{4-[4-(2,3-二氯苯基)-1-哌嗪基]丁基}-9H-芴-2-甲酰胺盐酸盐(1:1)
• 英文名称: NGB 2904
• 英文别名: N-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butyl]-9H-fluorene-2-carboxamide；NGB-2904；NGB2904；N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide
• CAS: 189060-98-8
• 化学式: C₂₈H₂₉Cl₂N₃O
• 分子量: 494.464
• InChiKey: YJPWVCIGSHWNON-UHFFFAOYSA-N

物化性质

• 沸点：
  691.0±55.0 °C(Predicted)
• 密度：
  1.264±0.06 g/cm3(Predicted)
• 溶解度：
  DMSO：25 mM，乙醇：5 mM

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  9H-芴-2-羧基 酸 在 sodium hydroxide 、 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-{4-[4-(2,3-二氯苯基)-1-哌嗪基]丁基}-9H-芴-2-甲酰胺盐酸盐(1:1)
  参考文献：
  名称：

  First Structure−Activity Relationship Study on Dopamine D₃ Receptor Agents with N-[4-(4-Arylpiperazin-1-yl)butyl]arylcarboxamide Structure

  摘要：

  Structure-affinity relationships of N-[4-(4-arylpiperazin-1-yl)butyl]arylcarboxamides as D-3 receptor ligands have been well characterized but not structure-activity relationships. In a first attempt to clarify this issue, seven 1-(2,3dichlorophenyl)piperazine derivatives and their 2-methoxyphenyl counterparts were prepared by varying the arylcarbox-amide moiety. They were tested for D3 receptor binding affinities and in the Eu-GTP binding assay in order to evaluate their intrinsic activity. We have found that the intrinsic activity strongly depended on the nature of the arylearboxamide moiety.

  DOI：

  10.1021/jm050729o

文献信息

• [EN] NOVEL N-AMINOALKYLFLUORENECARBOXAMIDES; A NEW CLASS OF DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS<br/>[FR] NOUVEAUX N-AMINOALKYLFLUORENECARBOXAMIDES; NOUVELLE CLASSE DE LIGANDS SPECIFIQUES DE SOUS-TYPES DE RECEPTEURS DOPAMINERGIQUES
  申请人：NEUROGEN CORPORATION

  公开号：WO1997010229A1

  公开（公告）日：1997-03-20

  (EN) Disclosed are compounds of formula (I) or the pharmaceutically acceptable salts thereof wherein: G represents a group of the formula (a), (b) or (c) where Ra and Rb represent hydrogen, or organic or inorganic substituents; A is an optionally substituted alkylene; R1, R2, R3, R4 represent organic or inorganic substituents; R5 is hydrogen or lower alkyl; R6 and R7 independently represent hydrogen, lower alkyl; or together form a ring of 5-8 members; Z is nitrogen or carbon; and W is optionally substituted aryl or heteroaryl.(FR) L'invention se rapporte à des composés de la formule (I) ou aux sels pharmaceutiquement acceptables de ceux-ci, formule dans laquelle G représente un groupe de la formule (a), (b) ou (c) dans lesquelles Ra et Rb représentent hydrogène ou des substituants organiques ou inorganiques; A est un alkylène éventuellement substitué; R1, R2, R3, R4 représentent des substituants organiques ou inorganiques; R5 représente hydrogène ou alkyle inférieur; R6 et R7 représentent indépendamment hydrogène, alkyle inférieur, ou, forment ensemble un noyau de 5 à 8 éléments; Z représente azote ou carbone; et W représente aryle ou hétéroaryle substitué.

  揭示了公式（I）的化合物或其药学上可接受的盐，其中：G代表公式（a），（b）或（c）的基团，其中Ra和Rb代表氢，或有机或无机取代基；A是可选的取代的烷基；R1，R2，R3，R4代表有机或无机取代基；R5是氢或较低的烷基；R6和R7独立地代表氢，较低的烷基；或一起形成5-8成员的环；Z是氮或碳；W是可选的取代的芳基或杂环芳基。
• NOVEL N-AMINOALKYLFLUORENECARBOXAMIDES; A NEW CLASS OF DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS
  申请人：NEUROGEN CORPORATION

  公开号：EP0873329A1

  公开（公告）日：1998-10-28
• First Structure−Activity Relationship Study on Dopamine D₃ Receptor Agents with <i>N</i>-[4-(4-Arylpiperazin-1-yl)butyl]arylcarboxamide Structure
  作者：Marcello Leopoldo、Enza Lacivita、Nicola A. Colabufo、Marialessandra Contino、Francesco Berardi、Roberto Perrone

  DOI：10.1021/jm050729o

  日期：2005.12.1

  Structure-affinity relationships of N-[4-(4-arylpiperazin-1-yl)butyl]arylcarboxamides as D-3 receptor ligands have been well characterized but not structure-activity relationships. In a first attempt to clarify this issue, seven 1-(2,3dichlorophenyl)piperazine derivatives and their 2-methoxyphenyl counterparts were prepared by varying the arylcarbox-amide moiety. They were tested for D3 receptor binding affinities and in the Eu-GTP binding assay in order to evaluate their intrinsic activity. We have found that the intrinsic activity strongly depended on the nature of the arylearboxamide moiety.