N-((4-fluorophenyl)methyl)-N-(1-methylpiperidin-4-yl)-N'-((4-methoxyphenyl)methyl)carbamide | 1134815-56-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-((4-fluorophenyl)methyl)-N-(1-methylpiperidin-4-yl)-N'-((4-methoxyphenyl)methyl)carbamide
• 英文别名: 1-(4-fluorobenzyl)-3-(4-methoxybenzyl)-1-(1-methylpiperidin-4-yl)urea；o-De(isobutyl)-O-methyl pimavanserin；1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
• CAS: 1134815-56-7
• 化学式: C₂₂H₂₈FN₃O₂
• 分子量: 385.482
• InChiKey: MLEABXFVMFPOFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-((4-fluorophenyl)methyl)-N-(1-methylpiperidin-4-yl)-N'-((4-methoxyphenyl)methyl)carbamide 在 三溴化硼 、 盐酸 作用下， 以 二氯甲烷 、 乙醚 为溶剂， 反应 20.0h， 生成 N-(4-氟苄基)-N-(1-甲基哌啶-4-基)-N'-(4-羟基苄基)碳酰二胺盐酸盐
  参考文献：
  名称：

  N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS

  摘要：

  本文披露了公式(I)、(II)、(III)、(IV)和(V)化合物的分离形式，或其药物可接受的盐、前药、水合物、溶剂化物、多晶形或酯。本文还披露了抑制5-羟色胺受体活性的方法、抑制5-羟色胺受体激活的方法，以及缓解或治疗各种疾病状况和副作用的方法。

  公开号：

  US20090082342A1
• 作为产物：
  描述：

  N-(4-氟苄基)-1-甲基哌啶-4-胺 、 4-甲氧苄基异氰酸酯 以 二氯甲烷 为溶剂， 反应 3.0h， 以71%的产率得到N-((4-fluorophenyl)methyl)-N-(1-methylpiperidin-4-yl)-N'-((4-methoxyphenyl)methyl)carbamide
  参考文献：
  名称：

  N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS

  摘要：

  本文披露了公式(I)、(II)、(III)、(IV)和(V)化合物的分离形式，或其药物可接受的盐、前药、水合物、溶剂化物、多晶形或酯。本文还披露了抑制5-羟色胺受体活性的方法、抑制5-羟色胺受体激活的方法，以及缓解或治疗各种疾病状况和副作用的方法。

  公开号：

  US20090082342A1

文献信息

• [EN] SALTS OF N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND THEIR PREPARATION<br/>[FR] SELS DE N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE ET LEUR PREPARATION
  申请人：ACADIA PHARM INC

  公开号：WO2006036874A1

  公开（公告）日：2006-04-06

  Disclosed herein are salts of N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl) carbamide of formula (I) including the citrate, fumarate, maleate, malate, phosphate, succinate, sulphate, and edisylate salts.

  本文披露了公式(I)的N-(4-氟苯基)-N-(1-甲基哌啶-4-基)-N'-(4-(2-甲基丙氧基)苯甲基)碳酰胺的盐，包括柠檬酸盐、富马酸盐、马来酸盐、苹果酸盐、磷酸盐、琥珀酸盐、硫酸盐和乙二胺盐。
• CO-ADMINISTRATION OF PIMAVANSERIN WITH OTHER AGENTS
  申请人：Hacksell Uli

  公开号：US20090082388A1

  公开（公告）日：2009-03-26

  As disclosed herein, co-administration of pimavanserin with an agent that ameliorates one or more cholinergic abnormalities can have a synergistic effect on the efficacy of the agent. Disclosed herein are compositions which include pimavanserin in combination with an agent that ameliorates one or more cholinergic abnormalities. Also disclosed herein are methods for ameliorating or treating a disease condition characterized by one or more cholinergic abnormalities that can include administering pimavanserin in combination with an agent that ameliorates one or more cholinergic abnormalities.

  如本文所述，联合使用pimavanserin和改善一个或多个胆碱能异常的药物可以增强该药物的疗效。本文还披露了包括pimavanserin和改善一个或多个胆碱能异常的药物在内的组合物。本文还披露了一种改善或治疗由一个或多个胆碱能异常特征的疾病状况的方法，该方法可以包括使用pimavanserin和改善一个或多个胆碱能异常的药物。
• [EN] CO-ADMINISTRATION OF PIMAVANSERIN WITH OTHER AGENTS<br/>[FR] CO-ADMINISTRATION DE PIMAVANSÉRINE AVEC D'AUTRES AGENTS
  申请人：ACADIA PHARM INC

  公开号：WO2009039460A2

  公开（公告）日：2009-03-26

  As disclosed herein, co-administration of pimavanserin with an agent that ameliorates one or more cholinergic abnormalities can have a synergistic effect on the efficacy of the agent. Disclosed herein are compositions which include pimavanserin in combination with an agent that ameliorates one or more cholinergic abnormalities. Also disclosed herein are methods for ameliorating or treating a disease condition characterized by one or more cholinergic abnormalities that can include administering pimavanserin in combination with an agent that ameliorates one or more cholinergic abnormalities.
• [EN] N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS<br/>[FR] DÉRIVÉS DE PIPÉRIDINE N-SUBSTITUÉS EN TANT QU'AGENTS RÉCEPTEURS DE LA SÉROTONINE
  申请人：ACADIA PHARM INC

  公开号：WO2009039461A2

  公开（公告）日：2009-03-26

  Disclosed herein are isolated forms of the compounds of Formula (I), (II), (III), (IV) and (V), or a pharmaceutically acceptable salt, prodrug, hydrate, solvate, polymorph, or ester thereof. Also disclosed are methods of inhibiting an activity of a serotonin receptor, methods inhibiting an activation of a serotonin receptor, and methods of alleviating or treating various disease conditions and side effects.
• [EN] METHODS FOR PREPARING N-(4-FLUOROBENZYL)-N-(1-METHYLPIPERIDIN-4-YL)-N'-(4-(2-METHYLPROPYLOXY)PHENYLMETHYL)CARBAMIDE AND ITS TARTRATE SALT AND POLYMORPHIC FORM C<br/>[FR] PROCÉDÉS DE PRÉPARATION DE N-(4-FLUOROBENZYL)-N-(1-MÉTHYLPIPÉRIDIN-4-YL)-N'-(4-2-MÉTHYLPROPYLOXY)PHÉNYLMÉTHYL)CARBAMIDE, SON SEL DE TARTRATE ET SA FORME POLYMORPHE C
  申请人：ACADIA PHARM INC

  公开号：WO2017015272A1

  公开（公告）日：2017-01-26

  Disclosed herein are methods for obtaining N-(4-fluorobenzyl)-N-(l-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl) carbamide (pimavanserin) comprising the step of contacting an intermediate according to Formula (A) or a salt thereof, with an intermediate Formula B, or a salt thereof, to produce pimavanserin or a salt thereof wherein Y is -ORi or -NR2aR2b; R3 is hydrogen or substituted or unsubstituted heteroalicyclyl, R4 is substituted or unsubstituted aralkyl; X is -OR22 or -NR23R24; (wherein R22 is hydrogen or substituted or unsubstituted C1-6alkyl and one of R23 and R24 is hydrogen and the other is hydrogen or N- methylpiperidin-4-yl); and R21 is -OCH2CH(CH3)2 or F; Also disclosed herein is the tartrate salt of N-(4-fluorobenzyl)-N-(l-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl) carbamide and methods for obtaining the salt.