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苯并[a]吩嗪 | 225-61-6

  • 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

  • 熔点:
    142.5°C
  • 沸点:
    362.26°C (rough estimate)
  • 密度:
    1.1728 (rough estimate)

计算性质

  • 辛醇/水分配系数(LogP):
    3.9
  • 重原子数:
    18
  • 可旋转键数:
    0
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    25.8
  • 氢给体数:
    0
  • 氢受体数:
    2

安全信息

  • 海关编码:
    2933990090

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
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

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文献信息

  • NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS
    申请人:Pellecchia Maurizio
    公开号:US20090105319A1
    公开(公告)日:2009-04-23
    Methods of using apogossypol and its derivatives for treating inflammation is disclosed. Also, there is described a group of compounds having structure A, or a pharmaceutically acceptable salt, hydrate, N-oxide, or solvate thereof are provided: wherein each R is independently selected from the group consisting of H, C(O)X, C(O)NHX, NH(CO)X, SO 2 NHX, and NHSO 2 X, wherein X is selected from the group consisting of an alkyl, a substituted alkyl, an aryl, a substituted aryl, an alkylaryl, and a heterocycle. Compounds of group A may be used for treating various diseases or disorders, such as cancer.
    使用阿波戈司宝及其衍生物治疗炎症的方法被披露。此外,还描述了一组具有结构A的化合物,或其药学上可接受的盐、合物、N-氧化物或溶剂化合物: 其中每个R独立地选自H、C(O)X、C(O)NHX、NH(CO)X、SO2NHX和NHSO2X组成的组,其中X选自烷基、取代烷基、芳基、取代芳基、烷基芳基和杂环的组。A组化合物可用于治疗各种疾病或疾病,如癌症。
  • [EN] TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE<br/>[FR] INHIBITEURS TRICYCLIQUES DE POLY(ADP-RIBOSE)POLYMÉRASE
    申请人:NEWGEN THERAPEUTICS INC
    公开号:WO2012166983A1
    公开(公告)日:2012-12-06
    The invention provides for compositions comprising phosphorous containing tricyclic compounds, including phthalazin-l(2H)-one derivatives. The compounds are potent inhibitors of the enzyme poly(ADP-ribose)polymerase (PARP), particularly PARP-1 and potentially PARP-2. The also show good cellular activity in inhibiting poly(ADP- ribose) oligomer formation. The compounds may be useful as mono-therapy or in combination with other therapeutic agents in the treatment conditions where PARP is implicated, such as cancer, inflammatory diseases and ischemic conditions. Thus, also provided are methods for the treatment of a condition where PARP is implicated comprising administering to an effective amount of a compound of the invention to an individual in need thereof.
    该发明提供了包含含三环化合物的组合物,包括邻苯二氮杂吲哚酮衍生物。这些化合物是酶聚(腺苷磷酸核糖)聚合酶(PARP)的有效抑制剂,特别是PARP-1和潜在的PARP-2。它们还显示出在抑制聚(腺苷磷酸核糖)寡聚物形成方面具有良好的细胞活性。这些化合物可能在单独治疗或与其他治疗剂联合治疗PARP参与的疾病条件中发挥作用,如癌症、炎症性疾病和缺血性疾病。因此,还提供了一种治疗PARP参与的疾病条件的方法,包括向需要的个体施用该发明化合物的有效量。
  • Pharmaceutical Compositions Comprising Deuterium-Enriched Perillyl Alcohol, Iso-Perillyl Alcohol and Derivatives Thereof
    申请人:NEONC TECHNOLOGIES INC.
    公开号:US20160039731A1
    公开(公告)日:2016-02-11
    The present invention, provides for a deuterium-enriched monoterpene or sesquiterpene such as perillyl alcohol, or a deuterium-enriched isomer or analog of monoterpenes or sesquiterpenes, such as isoperillyl alcohol. The present invention also provides for a deuterium-enriched derivative of a monoterpene or sesquiterpene, such as a perillyl alcohol carbamate or a deuterium-enriched derivative of an isomer or analog of a monoterpene or sesquiterpene, such as an isoperillyl alcohol carbamate. The deuterium-enriched derivative may be perillyl alcohol or isoperillyl alcohol conjugated with a therapeutic agent such as a chemotherapeutic agent. The present invention also provides for a method of treating a disease such as cancer, comprising the step of delivering to a patient a therapeutically effective amount of a deuterium-enriched compound.
    本发明提供了一种增强的单萜或倍半萜,例如桃娘醇,或者一种增强的单萜或倍半萜的同系物或类似物,例如异桃娘醇。本发明还提供了一种单萜或倍半萜增强衍生物,例如桃娘醇碳酰胺或一种单萜或倍半萜的同系物或类似物的增强衍生物,例如异桃娘醇碳酰胺。所述增强衍生物可以是与治疗剂如化疗剂结合的桃娘醇或异桃娘醇。本发明还提供了一种治疗疾病如癌症的方法,包括向患者提供治疗有效量的增强化合物。
  • [EN] METHODS AND DEVICES FOR USING ISOPERILLYL ALCOHOL<br/>[FR] PROCÉDÉS ET DISPOSITIFS POUR L'UTILISATION D'ALCOOL ISOPERILLYLIQUE
    申请人:NEO ONCOLOGY INC
    公开号:WO2012083178A1
    公开(公告)日:2012-06-21
    The present invention provides for a method of treating a disease such as cancer, comprising the step of administering to a patient a therapeutically effective amount of an isomer or analog of monoterpene or sesquiterpene (or its derivative), such as an isoperillyl alcohol. The present invention also provides for a method of treating a disease comprising the step of administering to a patient a therapeutically effective amount of a derivative of an isomer or analog of monoterpene or sesquiterpene, such as an isoperillyl alcohol carbamate. The derivative may be an isoperillyl alcohol conjugated with a therapeutic agent such as a chemotherapeutic agent. The route of administration may vary, including inhalation, intranasal, oral, transdermal, intravenous, subcutaneous or intramuscular injection.
    本发明提供了一种治疗疾病的方法,包括向患者施用单萜或倍半萜的异构体或类似物(或其衍生物)的治疗有效量,例如异壬醇。本发明还提供了一种治疗疾病的方法,包括向患者施用单萜或倍半萜的异构体或类似物的衍生物的治疗有效量,例如异壬醇氨基甲酸酯。该衍生物可以是与化疗药物等治疗剂结合的异壬醇。给药途径可以有所不同,包括吸入、鼻内、口服、经皮、静脉、皮下或肌肉注射。
  • Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device
    申请人:Semiconductor Energy Laboratory Co., Ltd.
    公开号:US20170117487A1
    公开(公告)日:2017-04-27
    A novel heterocyclic compound is provided. In particular, a novel heterocyclic compound which can improve the element characteristics of a light-emitting element is provided. A novel light-emitting element with high emission efficiency and high heat resistance is provided. A heterocyclic compound represented by General Formula (G1). A represents any of a dibenzothiophenyl group, a dibenzofuranyl group, and a carbazolyl group. DBq represents a dibenzo[f,h]quinoxalinyl group. In addition, n is 0 or 1. Each of Ar1 to Ar4 independently represents a substituted or unsubstituted arylene group having 6 to 10 carbon atoms. In Ar1 to Ar4, the adjacent arylene groups may be bonded to each other to form a ring. When the adjacent arylene groups in Ar1 to Ar4 form a fluorene skeleton, the fluorene skeleton may have a substituent.
    提供了一种新的杂环化合物。具体来说,提供了一种可以改善发光元件特性的新型杂环化合物。提供了一种具有高发射效率和高耐热性的新型发光元件。由通用式(G1)表示的杂环化合物。A代表二苯并噻吩基团、二苯并呋喃基团和咔唑基团中的任意一种。DBq代表二苯并[f,h]喹喔啉基团。此外,n为0或1。Ar1至Ar4中的每一个独立地表示具有6到10个碳原子的取代或未取代芳基基团。在Ar1至Ar4中,相邻的芳基基团可以相互连接形成环。当Ar1至Ar4中的相邻芳基基团形成骨架时,骨架可以有取代基。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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