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6-甲基-3,6-二氮杂双环[3.2.0]庚烷 | 1300091-93-3

中文名称
6-甲基-3,6-二氮杂双环[3.2.0]庚烷
中文别名
——
英文名称
6-Methyl-3,6-diazabicyclo[3.2.0]heptane
英文别名
6-methyl-3,6-diazabicyclo[3.2.0]heptane
6-甲基-3,6-二氮杂双环[3.2.0]庚烷化学式
CAS
1300091-93-3
化学式
C6H12N2
mdl
——
分子量
112.175
InChiKey
ACXCQTFLEBVHNU-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:
    140.1±8.0 °C(Predicted)
  • 密度:
    0.998±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    -0.3
  • 重原子数:
    8
  • 可旋转键数:
    0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    15.3
  • 氢给体数:
    1
  • 氢受体数:
    2

反应信息

  • 作为反应物:
    描述:
    2,7-二溴-9-芴酮6-甲基-3,6-二氮杂双环[3.2.0]庚烷tris-(dibenzylideneacetone)dipalladium(0)sodium t-butanolateS-1,1'-联-2-萘酚 作用下, 以 甲苯 为溶剂, 生成 2,7-Bis(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)fluoren-9-one
    参考文献:
    名称:
    SAR of α7 nicotinic receptor agonists derived from tilorone: Exploration of a novel nicotinic pharmacophore
    摘要:
    The well-known interferon-inducer tilorone was found to possess potent affinity for the agonist site of the alpha 7 neuronal nicotinic receptor (K-i = 56 nM). SAR investigations determined that both basic sidechains are essential for potent activity, however active monosubstituted derivatives can also be prepared if the flexible sidechains are replaced with conformationally rigidified cyclic amines. Analogs in which the fluorenone core is replaced with either dibenzothiophene-5,5-dioxide or xanthenone also retain potent activity. (C) 2012 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2011.12.126
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文献信息

  • [EN] ERBB/BTK INHIBITORS<br/>[FR] INHIBITEURS DE ERBB/BTK
    申请人:DIZAL JIANGSU PHARMACEUTICAL CO LTD
    公开号:WO2019149164A1
    公开(公告)日:2019-08-08
    Disclosed are compounds inhibiting ErbBs (e. g., EGFR or Her 2), especially mutant forms of ErbBs, and BTK, pharmaceutically acceptable salts, hydrates, solvates or stereoisomers thereof and pharmaceutical compositions comprising the compounds. The compound and the pharmaceutical composition can effectively treat ErbBs (especially mutant forms of ErbBs) or BTK associated diseases, including cancer.
    揭示了抑制ErbBs(例如EGFR或Her 2),特别是ErbBs的突变形式,以及BTK的化合物,其药用盐、合物、溶剂合物或立体异构体,以及包含这些化合物的药物组合物。该化合物和药物组合物可以有效治疗ErbBs(特别是ErbBs的突变形式)或与BTK相关的疾病,包括癌症。
  • 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE
    申请人:INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)
    公开号:US20150099732A1
    公开(公告)日:2015-04-09
    The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain 3-aryl-5-substituted-2H-isoquinolin-1-one compounds that, inter alia, inhibit PARP (e.g., PARP1, TNKS1, TNKS2, etc.) and/or Wnt signalling. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit PARP (e.g., PARP1, TNKS1, TNKS2, etc.); to inhibit Wnt signalling; to treat disorders that are ameliorated by the inhibition of PARP (e.g., PARP1, TNKS1, TNKS2, etc.); to treat disorders that are ameliorated by the inhibition of Wnt signalling; to treat proliferative conditions such as cancer, etc.
    本发明通常涉及治疗化合物领域。更具体地,本发明涉及某些3-芳基-5-取代-2H-异喹啉-1-酮化合物,该化合物在抑制PARP(例如PARP1,TNKS1,TNKS2等)和/或Wnt信号传导方面具有作用。本发明还涉及包含这些化合物的药物组合物,以及利用这些化合物和组合物,在体内和体外,来抑制PARP(例如PARP1,TNKS1,TNKS2等);抑制Wnt信号传导;治疗通过抑制PARP(例如PARP1,TNKS1,TNKS2等)改善的疾病;治疗通过抑制Wnt信号传导改善的疾病;治疗癌症等增生症状。
  • [EN] 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE<br/>[FR] COMPOSÉS DE 3-ARYLISOQUINOL-1-ONE 5-SUBSTITUÉE ET LEUR UTILISATION THÉRAPEUTIQUE
    申请人:CANCER RES INST ROYAL
    公开号:WO2015036759A1
    公开(公告)日:2015-03-19
    The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain 3-aryl-5-substituted- 2/-/-isoquinolin-1-one compounds that, inter alia, inhibit PARP (e.g., PARP1, TNKS1, TNKS2, etc.) and/or Wnt signalling. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit PARP (e.g., PARP1, TNKS1, TNKS2, etc.); to inhibit Wnt signalling; to treat disorders that are ameliorated by the inhibition of PARP (e.g., PARP1, TNKS1, TNKS2, etc.); to treat disorders that are ameliorated by the inhibition of Wnt signalling; to treat proliferative conditions such as cancer, etc. Formula (I)
    本发明涉及治疗化合物领域。更具体地,本发明涉及某些3-芳基-5-取代-2/-/-异喹啉-1-酮化合物,该化合物在抑制PARP(例如PARP1、TNKS1、TNKS2等)和/或Wnt信号传导方面具有作用。本发明还涉及包含此类化合物的药物组合物,以及使用这些化合物和组合物在体外和体内抑制PARP(例如PARP1、TNKS1、TNKS2等);抑制Wnt信号传导;治疗通过抑制PARP(例如PARP1、TNKS1、TNKS2等)改善的疾病;治疗通过抑制Wnt信号传导改善的疾病;治疗增生性疾病如癌症等。公式(I)
  • QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR
    申请人:Abbvie Deutschland GmbH & Co. KG
    公开号:US20170260158A1
    公开(公告)日:2017-09-14
    The present invention relates to quinoline compounds of formula I wherein the variables are defined as in the claims and the description. The invention further relates to a pharmaceutical composition containing such compounds, to their use as modulators of the 5-HT 6 receptor, their use for preparing a medicament for the prevention or treatment of conditions and disorders which respond to the modulation of the 5-HT 6 receptor, and to methods for preventing or treating conditions and disorders which respond to the modulation of the 5-HT 6 receptor.
    本发明涉及公式I的喹啉化合物,其中变量的定义如索引和描述中所述。本发明还涉及含有这种化合物的药物组合物,以及它们作为5-HT6受体调节剂的用途,用于制备用于预防或治疗对5-HT6受体调节有反应的疾病和疾病的药物,以及用于预防或治疗对5-HT6受体调节有反应的疾病和疾病的方法。
  • Substituted Diazabicycloalkane Derivates
    申请人:Frost Jennifer M.
    公开号:US20080275048A1
    公开(公告)日:2008-11-06
    Compounds of formula (I) Z-Ar 1 —Ar 2 (I) wherein Z is a diazabicyclic amine, Ar 1 is a 5- or 6-membered aromatic ring, and Ar 2 is selected from the group consisting of an unsubstituted or substituted 5- or 6-membered heteroaryl ring; unsubstituted or substituted bicyclic heteroaryl ring; 3,4-(methylenedioxy)phenyl; carbazolyl; tetrahydrocarbazolyl; naphthyl; and phenyl; wherein the phenyl is substituted with 0, 1, 2, or 3 substituents in the meta- or para-positions. The compounds are useful in treating conditions or disorders prevented by or ameliorated by α7 nAChR ligands. Also disclosed are pharmaceutical compositions comprising compounds of formula (I) and methods for using such compounds and compositions.
    化合物的公式为(I)Z-Ar1—Ar2(I),其中Z是一种二氮杂双环胺,Ar1是一种5或6成员芳香环,而Ar2则选自未取代或取代的5或6成员杂芳基环;未取代或取代的双环杂芳基环;3,4-(亚甲氧基)苯基;咔唑基;四氢咔唑基;基;和苯基;其中苯基在间位或对位上取代有0、1、2或3个取代基。这些化合物在治疗由α7 nAChR配体预防或改善的疾病或疾病方面是有用的。此外,还披露了包含公式(I)化合物的制药组合物以及使用这些化合物和组合物的方法。
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