N-[1-[(4-氟苯基)甲基]哌啶-4-基]-2,3-二甲氧基苯甲酰胺 | 152128-14-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: N-[1-[(4-氟苯基)甲基]哌啶-4-基]-2,3-二甲氧基苯甲酰胺
• 中文别名: 2,3-二甲氧基-N-(1-(4-氟苯甲基)哌啶-4-基)苯酰胺
• 英文名称: 2,3-dimethoxy-N-<1-(4-fluorobenzyl)piperidin-4-yl>benzamide
• 英文别名: 2,3-dimethoxy-N-[1-(4-fluorobenzyl)piperidin-4-yl] benzamide；2,3-Dimethoxy-N-(1-(4-fluorobenzyl)piperidin-4-yl)benzamide；N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,3-dimethoxybenzamide
• CAS: 152128-14-8
• 化学式: C₂₁H₂₅FN₂O₃
• 分子量: 372.44
• InChiKey: KSZBKOKLZQIWFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氨基-1-苄基哌啶 在 palladium dihydroxide 、 甲烷 氢气 、 氯甲酸乙酯 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 为溶剂， 25.0 ℃ 、413.69 kPa 条件下， 反应 75.75h， 生成 N-[1-[(4-氟苯基)甲基]哌啶-4-基]-2,3-二甲氧基苯甲酰胺
  参考文献：
  名称：

  Fluorine-18 labeled benzamides for studying the dopamine D2 receptor with positron emission tomography

  摘要：

  Two series of (N-benzylpiperidin-4-yl)- and (9-azabicyclo[3.3.1]nonan-3beta-yl)benzamides were prepared, and in vitro binding assays were used to measure the affinity of these compounds for dopamine D2, dopamine D3, serotonin 5-HT2, and alpha2-adrenergic receptors. The results of these studies indicated compounds 23, 26b, and 34 have the selectivity needed for in vivo studies of the D2 (and possibly D3) receptors. F-18-Labeled analogues of 23, 26b and 34 were prepared by N-alkylation of the corresponding desbenzyl precursors with [F-18]-4-fluorobenzyl iodide. Preliminary in vivo studies demonstrated that [F-18]-23 and [F-18]-26b are suitable candidates for further evaluation in positron emission tomography imaging studies. The slow rate of washout of [F-18]-34 from nondopaminergic regions and its comparatively high lipophilicity indicates that this compound may not be suitable for imaging studies because of a high level of nonspecific binding.

  DOI：

  10.1021/jm00075a028

文献信息

• COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES
  申请人：Johansen Lisa M.

  公开号：US20100009970A1

  公开（公告）日：2010-01-14

  The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E) and the agent or combination of agents includes sertraline, a sertraline analog, UK-416244, or a UK-416244 analog. Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.

  本发明涉及用于治疗病毒性疾病的组合物、方法和试剂盒。在某些实施方式中，病毒性疾病是由单链RNA病毒、黄病毒科病毒或肝病毒引起的。在特定实施方式中，病毒性疾病是病毒性肝炎（例如甲型肝炎、乙型肝炎、丙型肝炎、丁型肝炎、戊型肝炎），药剂或药剂组合包括舍曲林、舍曲林类似物、UK-416244或UK-416244类似物。还包括用于鉴定可用于治疗病毒性疾病的新化合物的筛选方法。
• Compositions and methods for treatment of viral diseases
  申请人：Johansen Lisa M.

  公开号：US20080161324A1

  公开（公告）日：2008-07-03

  The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E). Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.
• [EN] COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES<br/>[FR] COMPOSITIONS ET PROCÉDÉS POUR LE TRAITEMENT DE MALADIES VIRALES
  申请人：COMBINATORX SINGAPORE PRE LTD

  公开号：WO2008033466A2

  公开（公告）日：2008-03-20

  [EN] The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E). Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.
  [FR] La présente invention concerne des compositions, procédés et kits utiles dans le traitement de maladies virales. Dans certains modes de réalisation, la maladie virale est causée par un virus à ARN simple brin, un virus Flaviviridae, ou un virus hépatique. Dans des modes de réalisation particuliers, la maladie virale est l'hépatite virale (par exemple, hépatite A, hépatite B, hépatite C, hépatite D, hépatite E). La présente invention concerne également des procédés de criblage en vue de l'identification de nouveaux composés qui peuvent être utilisés pour traiter une maladie virale.
• Fluorine-18 labeled benzamides for studying the dopamine D2 receptor with positron emission tomography
  作者：Robert H. Mach、Robert R. Leudtke、Christopher D. Unsworth、Virginia A. Boundy、Peggy A. Nowak、James G. Scripko、S. Todd Elder、Joseph R. Jackson、Patricia L. Hoffman

  DOI：10.1021/jm00075a028

  日期：1993.11

  Two series of (N-benzylpiperidin-4-yl)- and (9-azabicyclo[3.3.1]nonan-3beta-yl)benzamides were prepared, and in vitro binding assays were used to measure the affinity of these compounds for dopamine D2, dopamine D3, serotonin 5-HT2, and alpha2-adrenergic receptors. The results of these studies indicated compounds 23, 26b, and 34 have the selectivity needed for in vivo studies of the D2 (and possibly D3) receptors. F-18-Labeled analogues of 23, 26b and 34 were prepared by N-alkylation of the corresponding desbenzyl precursors with [F-18]-4-fluorobenzyl iodide. Preliminary in vivo studies demonstrated that [F-18]-23 and [F-18]-26b are suitable candidates for further evaluation in positron emission tomography imaging studies. The slow rate of washout of [F-18]-34 from nondopaminergic regions and its comparatively high lipophilicity indicates that this compound may not be suitable for imaging studies because of a high level of nonspecific binding.