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(R)-3-(4-氟苯氧基)吡咯烷 | 900512-41-6

中文名称
(R)-3-(4-氟苯氧基)吡咯烷
中文别名
——
英文名称
(R)-3-(4-fluorophenoxy)pyrrolidine
英文别名
(3R)-3-(4-fluorophenoxy)pyrrolidine
(R)-3-(4-氟苯氧基)吡咯烷化学式
CAS
900512-41-6
化学式
C10H12FNO
mdl
——
分子量
181.21
InChiKey
YKPHNAHLNXEANR-SNVBAGLBSA-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:
    274.2±30.0 °C(Predicted)
  • 密度:
    1.143±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    1.8
  • 重原子数:
    13
  • 可旋转键数:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.4
  • 拓扑面积:
    21.3
  • 氢给体数:
    1
  • 氢受体数:
    3

反应信息

  • 作为反应物:
    描述:
    (R)-3-(4-氟苯氧基)吡咯烷2-氟-5-三氟甲基苯甲酸N-甲基吗啉 作用下, 反应 18.0h, 以60%的产率得到(R)-2-(3-(4-fluorophenoxy)pyrrolidin-1-yl)-5-(trifluoromethyl)benzoic acid
    参考文献:
    名称:
    Discovery of XEN445: A potent and selective endothelial lipase inhibitor raises plasma HDL-cholesterol concentration in mice
    摘要:
    Endothelial lipase (EL) activity has been implicated in HDL metabolism and in atherosclerotic plaque development; inhibitors are proposed to be efficacious in the treatment of dyslipidemia related cardiovascular disease. We describe here the discovery of a novel class of anthranilic acids EL inhibitors. XEN445 (compound 13) was identified as a potent and selective EL inhibitor, that showed good ADME and PK properties, and demonstrated in vivo efficacy in raising plasma HDLc concentrations in mice. (C) 2013 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmc.2013.10.023
  • 作为产物:
    描述:
    4-氟苯酚(S)-3-羟基-1-苄基吡咯烷 在 palladium 10% on activated carbon 三苯基膦偶氮二甲酸二乙酯甲酸铵 作用下, 以 四氢呋喃甲醇 为溶剂, 反应 21.0h, 生成 (R)-3-(4-氟苯氧基)吡咯烷
    参考文献:
    名称:
    Substituted triazole derivatives as oxytocin antagonists
    摘要:
    本发明涉及公式(I)的取代三唑化合物,其用途,制备方法以及含有该化合物的组合物。这些抑制剂在包括性功能障碍在内的各种治疗领域具有用途。
    公开号:
    US20060160786A1
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文献信息

  • Piperazine Heteroaryl Derivatives as Gpr38 Agonists
    申请人:MacDonald Gregor James
    公开号:US20080312209A1
    公开(公告)日:2008-12-18
    The invention provides compounds of formula (I) or pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , Z, X and B are as defined in the specification. The compounds are partial or full agonists at the GPR38 receptor. Pharmaceutical compositions comprising the compounds, methods of preparing the compounds, uses of the compounds and methods involving the compounds are also provided.
    该发明提供了式(I)的化合物或其药学上可接受的盐, 其中R1、R2、R3、R4、R5、R6、Z、X和B如规范中所定义。这些化合物是GPR38受体的部分或全激动剂。还提供了包括这些化合物的药物组合物、制备这些化合物的方法、这些化合物的用途以及涉及这些化合物的方法。
  • [EN] DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS<br/>[FR] INHIBITEURS DOUBLES DE NAV1.2/5HT2A POUR TRAITER DES TROUBLES DU SNC
    申请人:SUNOVION PHARMACEUTICALS INC
    公开号:WO2018026371A1
    公开(公告)日:2018-02-08
    Compounds of formula I: I are disclosed, as are pharmaceutical compositions containing such compounds. Methods of treating neurological or psychiatric disorders in a patient in need are also disclosed. Such disorders include depression, bipolar disorder, pain, schizophrenia, obsessive compulsive disorder, addiction, social disorder, attention deficit hyperactivity disorder, an anxiety disorder, autism, a cognitive impairment, or a neuropsychiatric symptom such as apathy, depression, anxiety, psychosis, aggression, agitation, impulse control disorders, and sleep disorders in neurological disorders such as Alzheimer's and Parkinson's diseases.
    公开了化学式I的化合物,以及含有这些化合物的药物组合物。还公开了治疗患有神经系统或精神障碍的患者的方法。这些障碍包括抑郁症、躁郁症、疼痛、精神分裂症、强迫症、成瘾、社交障碍、注意力缺陷多动障碍、焦虑障碍、自闭症、认知障碍,或神经精神症状,如冷漠、抑郁、焦虑、精神病、攻击性、激动、冲动控制障碍,以及在神经系统疾病如阿尔茨海默病和帕金森病中的睡眠障碍。
  • [EN] CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS<br/>[FR] COMPOSÉS DE 2,4-DIOXOPYRIMIDINE INHIBANT CD73
    申请人:GILEAD SCIENCES INC
    公开号:WO2021222522A1
    公开(公告)日:2021-11-04
    The present disclosure provides pyrimidine dione compounds, and pharmaceutical compositions thereof, for treating cancer, including solid tumors. The compounds can be used alone or in combination with other anti-cancer agents.
    本公开提供了嘧啶二酮类化合物及其药物组合物,用于治疗癌症,包括实体肿瘤。这些化合物可以单独使用或与其他抗癌药物联合使用。
  • Novel metalloproteinase ihibitors
    申请人:Eriksson Anders
    公开号:US20050026990A1
    公开(公告)日:2005-02-03
    Compounds of the formula (I), useful as metal-loproteinase inhibitors, especially as inhibitors of MMP12.
    化合物公式为(I),可用作金属蛋白酶抑制剂,特别是MMP12的抑制剂。
  • Substituted Triazole Derivatives As Oxytocin Antagonists
    申请人:Brown Alan Daniel
    公开号:US20090253674A1
    公开(公告)日:2009-10-08
    The present invention relates to substituted triazoles of formula (I), uses thereof, processes for the preparation thereof and compositions containing said compounds. These inhibitors have utility in a variety of therapeutic areas including sexual dysfunction.
    本发明涉及公式(I)的取代三唑,其用途、制备过程和含有该化合物的组合物。这些抑制剂在包括性功能障碍在内的多种治疗领域中具有实用性。
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