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3-[1-[4-[2-(1-methylethoxy)phenyl]-1-piperazinyl]ethyl]benzoic acid | 148888-31-7

中文名称
——
中文别名
——
英文名称
3-[1-[4-[2-(1-methylethoxy)phenyl]-1-piperazinyl]ethyl]benzoic acid
英文别名
3-[1-[4-(2-Propan-2-yloxyphenyl)piperazin-1-yl]ethyl]benzoic acid
3-[1-[4-[2-(1-methylethoxy)phenyl]-1-piperazinyl]ethyl]benzoic acid化学式
CAS
148888-31-7
化学式
C22H28N2O3
mdl
——
分子量
368.476
InChiKey
DSMKWCWWQOVXDM-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:
    522.9±50.0 °C(Predicted)
  • 密度:
    1.157±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    1.8
  • 重原子数:
    27
  • 可旋转键数:
    6
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.41
  • 拓扑面积:
    53
  • 氢给体数:
    1
  • 氢受体数:
    5

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    哌啶3-[1-[4-[2-(1-methylethoxy)phenyl]-1-piperazinyl]ethyl]benzoic acidN,N'-二环己基碳二亚胺 作用下, 以 N,N-二甲基甲酰胺 为溶剂, 反应 1.5h, 以0.60 g的产率得到1-(3-{[4-(2-isopropoxyphenyl)-1-piperazinyl]-1-ethyl}benzoyl)piperidine
    参考文献:
    名称:
    Orally Active Benzamide Antipsychotic Agents with Affinity for Dopamine D2, Serotonin 5-HT1A, and Adrenergic α1 Receptors
    摘要:
    New antipsychotic drugs are needed because current therapy is ineffective for many schizophrenics and because treatment is often accompanied by extrapyramidal symptoms and dyskinesias. This paper describes the design, synthesis, and evaluation of a series of related (aminomethyl)benzamides in assays predictive of antipsychotic activity in humans. These compounds had notable affinity for dopamine D-2, serotonin 5-HT1A, and alpha(1)-adrenergic receptors. The arylpiperazine 1-[3-[[4-[2-(1-methylethoxy)phenyl]-1-piperazinyl]methyl]benzoyl]piperidine (mazapertine, 6) was chosen because of its overall profile for evaluation in human clinical trials. The corresponding 4-arylpiperidine derivative 67 was also highly active indicating that the aniline nitrogen of 6 is not required for activity. Other particularly active structures include homopiperidine amide 14 and N-methylcyclohexylamide 31.
    DOI:
    10.1021/jm970164z
  • 作为产物:
    描述:
    参考文献:
    名称:
    Orally Active Benzamide Antipsychotic Agents with Affinity for Dopamine D2, Serotonin 5-HT1A, and Adrenergic α1 Receptors
    摘要:
    New antipsychotic drugs are needed because current therapy is ineffective for many schizophrenics and because treatment is often accompanied by extrapyramidal symptoms and dyskinesias. This paper describes the design, synthesis, and evaluation of a series of related (aminomethyl)benzamides in assays predictive of antipsychotic activity in humans. These compounds had notable affinity for dopamine D-2, serotonin 5-HT1A, and alpha(1)-adrenergic receptors. The arylpiperazine 1-[3-[[4-[2-(1-methylethoxy)phenyl]-1-piperazinyl]methyl]benzoyl]piperidine (mazapertine, 6) was chosen because of its overall profile for evaluation in human clinical trials. The corresponding 4-arylpiperidine derivative 67 was also highly active indicating that the aniline nitrogen of 6 is not required for activity. Other particularly active structures include homopiperidine amide 14 and N-methylcyclohexylamide 31.
    DOI:
    10.1021/jm970164z
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文献信息

  • NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES
    申请人:MCNEILAB, INC.
    公开号:EP0563345A1
    公开(公告)日:1993-10-06
  • US5569659A
    申请人:——
    公开号:US5569659A
    公开(公告)日:1996-10-29
  • [EN] NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES
    申请人:MCNEILAB, INC.
    公开号:WO1993004682A1
    公开(公告)日:1993-03-18
    (EN) Compounds of general formula (I) are disclosed as novel antipsychotic agents.(FR) L'invention concerne les composés de la formule générale (I) utilisés comme neuroleptiques.
  • Orally Active Benzamide Antipsychotic Agents with Affinity for Dopamine D<sub>2</sub>, Serotonin 5-HT<sub>1A</sub>, and Adrenergic α<sub>1</sub> Receptors
    作者:Allen B. Reitz、Ellen W. Baxter、Ellen E. Codd、Coralie B. Davis、Alfonzo D. Jordan、Bruce E. Maryanoff、Cynthia A. Maryanoff、Mark E. McDonnell、Eugene T. Powell、Michael J. Renzi、Mary R. Schott、Malcolm K. Scott、Richard P. Shank、Jeffry L. Vaught
    DOI:10.1021/jm970164z
    日期:1998.6.1
    New antipsychotic drugs are needed because current therapy is ineffective for many schizophrenics and because treatment is often accompanied by extrapyramidal symptoms and dyskinesias. This paper describes the design, synthesis, and evaluation of a series of related (aminomethyl)benzamides in assays predictive of antipsychotic activity in humans. These compounds had notable affinity for dopamine D-2, serotonin 5-HT1A, and alpha(1)-adrenergic receptors. The arylpiperazine 1-[3-[[4-[2-(1-methylethoxy)phenyl]-1-piperazinyl]methyl]benzoyl]piperidine (mazapertine, 6) was chosen because of its overall profile for evaluation in human clinical trials. The corresponding 4-arylpiperidine derivative 67 was also highly active indicating that the aniline nitrogen of 6 is not required for activity. Other particularly active structures include homopiperidine amide 14 and N-methylcyclohexylamide 31.
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