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1-(4-Chlorophenyl)-6-hydroxyhexan-1,3-dione | 114151-48-3

中文名称
——
中文别名
——
英文名称
1-(4-Chlorophenyl)-6-hydroxyhexan-1,3-dione
英文别名
6-(4-Chlorophenyl)-4,6-diketohexanol;1-(4-chlorophenyl)-6-hydroxyhexane-1,3-dione
1-(4-Chlorophenyl)-6-hydroxyhexan-1,3-dione化学式
CAS
114151-48-3
化学式
C12H13ClO3
mdl
——
分子量
240.686
InChiKey
ZHOKXGPMVKBAKR-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

计算性质

  • 辛醇/水分配系数(LogP):
    1.7
  • 重原子数:
    16
  • 可旋转键数:
    6
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.33
  • 拓扑面积:
    54.4
  • 氢给体数:
    1
  • 氢受体数:
    3

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:
    参考文献:
    名称:
    Synthesis and Biological Evaluation of Substituted Pyrazole Constrained Piperazine Derivative Library for Dopamine Receptor Antagonist
    摘要:
    Kamalkishor P. Landge,† Hyun Ju Song,† Jung Gook Lee,† Sang Eun Chae,‡ Ae Nim Pae,‡ Woo Kyu Park, Vasu Sampath, Hee Yoon Lee,* and Hun Yeong Koh†,* †Department of Chemistry, Inha University, Incheon 22212, Korea. *E-mail: hykoh@inha.ac.kr ‡Neuro-Medicine Center, Korea Institute of Science and Technology, Seoul, Korea Center for Drug Discovery Technology, Korea Research Institute of Chemical Technology
    DOI:
    10.1002/bkcs.11012
  • 作为产物:
    描述:
    对氯苯乙酮sodium methylate 作用下, 以 为溶剂, 以5.9 g (54%)的产率得到1-(4-Chlorophenyl)-6-hydroxyhexan-1,3-dione
    参考文献:
    名称:
    PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME
    摘要:
    本发明涉及一种新的哌嗪基丙基吡唑衍生物,以及其制备方法和含有该衍生物的药用组合物。本发明的新哌嗪基丙基吡唑衍生物具有对多巴胺D4受体的优越选择性亲和力,可以有效抑制阿波吗啡诱导的精神病行为(笼子攀爬),并在小鼠转杆试验中具有相对较低的不良影响。因此,它可以作为治疗和预防中枢神经系统(CNS)疾病的治疗剂,特别是精神分裂症、注意力缺陷多动障碍、抑郁症、压力疾病、恐慌症、恐惧症、强迫症、创伤后应激障碍、认知障碍、阿尔茨海默病、帕金森病、焦虑症、偏执狂、狂躁症、癫痫障碍、人格障碍、偏头痛、药物成瘾、酒精成瘾、肥胖症、进食障碍和睡眠障碍的治疗剂进行开发。
    公开号:
    US20100063286A1
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文献信息

  • 1,5-Diaryl-3-substituted pyrazoles pharmaceutical compositions and use
    申请人:Ortho Pharmaceutical Corporation
    公开号:US04826868A1
    公开(公告)日:1989-05-02
    1,5-Diaryl-3-substituted pyrazoles, a method of their preparation, compositions containing the same and methods of their use are disclosed. The pyrazoles are useful in alleviating inflammatory and cardiovascular disorders in mammals.
    1,5-二芳基-3-取代吡唑的制备方法、含有它们的组合物以及它们的使用方法被披露。这些吡唑在缓解哺乳动物的炎症和心血管疾病方面是有用的。
  • The Synthesis of 3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl) -5-pyrazolyl]-N-hydroxy-N-methylpropanamide a regioisomer of tepoxalin
    作者:William V. Murray
    DOI:10.1016/s0040-4039(00)91948-8
    日期:1993.3
    Compound 2 was synthesized in 4 steps in 65% overall yield. Mechanistic studies of the key pyrazole forming step revealed a tetrahyrofuran intermed
    分4步合成化合物2,总产率为65%。关键吡唑形成步骤的机理研究表明,存在四氢呋喃
  • Pharmacologically active N-1 and C-5 heterocyclic pyrazoles and method
    申请人:Ortho Pharmaceutical Corporation
    公开号:US05242940A1
    公开(公告)日:1993-09-07
    N-1 and C-5 heterocyclic pyrazoles, a method of their preparation, compositions containing the same and methods of their use are disclosed. The pyrazoles are useful in alleviating inflammatory and cardiovascular disorders in mammals.
    本文公开了N-1和C-5杂环吡唑的制备方法、含有它们的组合物以及它们的使用方法。这些吡唑在缓解哺乳动物的炎症和心血管疾病方面非常有用。
  • Pharmacologically active 1,5-diaryl-3-substituted pyrazoles and method
    申请人:Ortho Pharmaceutical Corporation
    公开号:US05164381A1
    公开(公告)日:1992-11-17
    1,5-Diaryl-3-substituted pyrazoles, a method of their preparation, compositions containing the same and methods of their use are disclosed. The pyrazoles are useful in alleviating inflammatory and cardiovascular disorders in mammals.
    本发明公开了1,5-二芳基-3-取代吡唑的制备方法,含有它们的组合物以及它们的使用方法。这些吡唑在缓解哺乳动物的炎症和心血管疾病方面是有用的。
  • Piperazinyl-propyl-pyrazole derivatives as dopamine D4 receptor antagonists, and pharmaceutical compositions containing the same
    申请人:Korea Research Institute of Chemical Technology
    公开号:US08236806B2
    公开(公告)日:2012-08-07
    The present invention relates to a novel piperazinyl-propyl-pyrazole derivative, a method of its preparation and a pharmaceutically acceptable composition comprising the same. The novel piperazinyl-propyl-pyrazole derivative of the present invention has superior selective affinity for dopamine D4 receptor, can effectively inhibit psychotic behavior (cage climbing) induced by apomorphine, and has relatively low adverse effects in mouse rotarod test. Therefore, it can be developed as a therapeutic agent for the treatment and prevention of central nervous system (CNS) disorders, in particular, schizophrenia, attention deficit hyperactivity disorder, depression, stress diseases, panic disorder, phobia, obsessive-compulsive disorder, posttraumatic stress disorder, cognitive disorder, Alzheimer's disease, Parkinson's disease, anxiety, paraphrenia, mania, seizure disorder, personality disorder, migraine, drug addiction, alcohol addiction, obesity, eating disorder, and sleeping disorder.
    本发明涉及一种新型哌嗪基丙基吡唑衍生物、其制备方法以及包含该衍生物的药学上可接受的组合物。本发明的新型哌嗪基丙基吡唑衍生物具有对多巴胺D4受体的优异选择性亲和力,能够有效抑制阿泼吗啡引起的精神病行为(笼子攀爬),并在小鼠转杆试验中具有相对较低的不良反应。因此,它可以作为治疗和预防中枢神经系统(CNS)疾病的治疗剂,特别是精神分裂症、注意力缺陷多动障碍、抑郁症、压力疾病、惊恐障碍、恐惧症、强迫症、创伤后应激障碍、认知障碍、阿尔茨海默病、帕金森病、焦虑症、妄想症、躁狂症、癫痫、人格障碍、偏头痛、药物成瘾、酒精成瘾、肥胖症、进食障碍和睡眠障碍的治疗剂开发。
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