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N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N'-(4-hydroxybenzyl)carbamide | 1134815-53-4

中文名称
——
中文别名
——
英文名称
N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N'-(4-hydroxybenzyl)carbamide
英文别名
DE(isobutyl)pimavanserin;1-[(4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N'-(4-hydroxybenzyl)carbamide化学式
CAS
1134815-53-4
化学式
C21H26FN3O2
mdl
——
分子量
371.455
InChiKey
XUKTZFSDFDUIHQ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    603.5±55.0 °C(Predicted)
  • 密度:
    1.24±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    2.9
  • 重原子数:
    27
  • 可旋转键数:
    5
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.38
  • 拓扑面积:
    55.8
  • 氢给体数:
    2
  • 氢受体数:
    4

反应信息

  • 作为反应物:
    描述:
    N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N'-(4-hydroxybenzyl)carbamide(R)-(-)-3-溴-2-甲基-1-丙醇氢氧化钾盐酸 作用下, 以 N,N-二甲基甲酰胺乙醚二氯甲烷 为溶剂, 反应 5.25h, 生成 N-(4-fluorobenzyl)-N-(1-methyl-piperidin-4-yl)-N'-(4-(R)-[(3-hydroxy)-isobutoxy]benzyl)carbamide hydrochloride
    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
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文献信息

  • 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] USE OF PIMAVANSERIN IN THE TREATMENT OF PARKINSON AND SYMPTOMS THEREOF<br/>[FR] UTILISATION ET ADMINISTRATION DE PIMAVANSÉRINE
    申请人:ACADIA PHARM INC
    公开号:WO2008144665A1
    公开(公告)日:2008-11-27
    [EN] It is shown that pimavanserin can be administered with or without food without significant effect on absorption or pharmacokinetics. It is also shown that pimavanserin can be used to treat Parkinson's disease psychosis without significantly worsening motor symptoms.
    [FR] L'invention concerne l'administration de pimavansérine dont on montre qu'elle peut se faire avec ou sans aliment sans effet significatif sur l'absorption ou la pharmacocinétique. On montre également que la pimavansérine peut être utilisée pour traiter une psychose de la maladie de Parkinson sans affaiblir significativement les symptômes moteurs.
  • [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.
  • N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS
    申请人:Uldam Henriette Kold
    公开号:US20090082342A1
    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.
    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。
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