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3,3',5,5'-tetramethyl-2,2'-dipyrromethen | 1227242-56-9

中文名称
——
中文别名
——
英文名称
3,3',5,5'-tetramethyl-2,2'-dipyrromethen
英文别名
2,2',4,4'-tetramethylpyrromethane;3,5,3',5'-tetramethyl-1H,2'H-2,2'-methanylylidene-bis-pyrrole;3,3',5,5'-Tetramethyl-dipyrryl-(2,2')-methen;3,3',5,5'-Tetramethyl-2-dipyrromethen;(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-3,5-dimethyl-pyrrole;(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole
3,3',5,5'-tetramethyl-2,2'-dipyrromethen化学式
CAS
1227242-56-9
化学式
C13H16N2
mdl
——
分子量
200.283
InChiKey
VEDYKOPETFAIJI-QPEQYQDCSA-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

  • 熔点:
    116-118 °C(Solv: acetone (67-64-1))
  • 沸点:
    343.7±42.0 °C(Predicted)
  • 密度:
    1.04±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    1.8
  • 重原子数:
    15
  • 可旋转键数:
    1
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.31
  • 拓扑面积:
    28.2
  • 氢给体数:
    1
  • 氢受体数:
    1

安全信息

  • 危险品标志:
    Xi

SDS

SDS:8c8e7ac5c8378d76d10b23515dc8a294
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反应信息

  • 作为反应物:
    描述:
    3,3',5,5'-tetramethyl-2,2'-dipyrromethen三氟化硼乙醚三乙胺 作用下, 以 甲苯 为溶剂, 以3.85 g的产率得到4,4-二氟-1,3,5,7-四甲基-4-硼杂-3a,4a-二氮杂对称引达省
    参考文献:
    名称:
    A novel luciferin-based bright chemiluminescent probe for the detection of reactive oxygen species
    摘要:
    该通讯报告了KEIO-BODIPY–imidazopyrazine (KBI)的合成、化学发光特性及其在生物应用中的表现,KBI是一种用于检测来自活细胞的活性氧种(ROS)的黄绿色化学发光探针。
    DOI:
    10.1039/b903751a
  • 作为产物:
    参考文献:
    名称:
    Conversion of 4,4-Difluoro-4-bora-3a,4a-diaza-s-indacenes (F-BODIPYs) to Dipyrrins with a Microwave-Promoted Deprotection Strategy
    摘要:
    4,4-Difluoro-4-bora-3a,4a-diaza-s-indacenes (F-BODIPYs) have been deprotected to give the corresponding free-base dipyrrins by heating a solution of the F-BODIPY In tert-butanol under 600 W of microwave irradiation in the presence of 6 equiv of potassium tert-butoxide for 40 min at 92 degrees C. Investigations of BODIPY modification at the meso position have also been undertaken and a meso-butyl product has been isolated.
    DOI:
    10.1021/ol902908j
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文献信息

  • NA CHANNELS, DISEASE, AND RELATED ASSAYS AND COMPOSITIONS
    申请人:Brown Milton L.
    公开号:US20110230442A1
    公开(公告)日:2011-09-22
    Disclosed are molecules and their synthesis, for use in blocking gated ion channels such as voltage-gated sodium channels (VGSCs) and prostate voltage sodium channels (PVSCs). These inhibitors have superior blocking efficacy, for instance in displacing the radioligand [ 3 H]-Batrachotoxin-B ([ 3 H]-BTX-B) that binds to site 2 of a VGSC. The molecules of the invention comprise a moiety which increases the binding affinity of molecules for the protein binding site in prostate cancer cells (PCs), and which is also fluorescent. In one embodiment the invention molecules are an inhibition system that can be used to target over-abundant or hyperactive VGSCs selectively in pain, epilepsy or prostate cancer, inhibiting the proliferation of PCs. The fluorescent moiety also facilitates screening, tracking, and pharmacodynamic studies of the drug in a biological system both in vitro and in vivo.
    本发明涉及分子及其合成,用于阻断门控离子通道,例如电压门控通道(VGSC)和前列腺电压通道(PVSC)。这些抑制剂具有卓越的阻断效力,例如在取代结合到VGSC的位点2的放射性配体[3H]-Batrachotoxin-B ([3H]-BTX-B)方面。本发明的分子包括一个基团,增加分子对前列腺癌细胞(PC)中蛋白质结合位点的结合亲和力,并且也是荧光的。在一种实施方式中,本发明的分子是一种抑制系统,可用于选择性地靶向过度丰富或过度活跃的VGSC,从而抑制疼痛、癫痫或前列腺癌的PC的增殖。荧光基团还有助于在体外和体内生物系统中筛选、跟踪和药效学研究药物。
  • COMPOUND AND OPTICAL FILM COMPRISING SAME
    申请人:LG CHEM, LTD.
    公开号:US20220402942A1
    公开(公告)日:2022-12-22
    The present specification relates to a compound represented by Chemical Formula 1, a composition for forming an optical film and an optical film comprising the same, and a display device comprising the optical film.
    本规范涉及化学式1所代表的化合物,用于形成光学膜的组合物和包含相同化合物的光学膜,以及包含光学膜的显示设备。
  • Boron-dipyrrin complex and medicament containing the same
    申请人:JAPAN SCIENCE AND TECHNOLOGY AGENCY
    公开号:US10188671B2
    公开(公告)日:2019-01-29
    Provided is a compound which is useful as an in vivo applicable, amyloid-oxygenating catalyst selective for amyloid and applicable not only to an Aβ peptide, but also to other amyloids and a drug containing the compound for preventing and/or treating amyloid-related diseases. Disclosed is a boron-dipyrrin complex represented by the following formula (1)
    本发明提供了一种化合物,该化合物可作为体内适用的淀粉样催化剂,对淀粉样蛋白具有选择性,不仅适用于Aβ肽,也适用于其他淀粉样蛋白,还提供了一种含有该化合物的药物,用于预防和/或治疗淀粉样蛋白相关疾病。本发明公开了由下式(1)表示的-二吡咯啉复合物
  • BORON-DIPYRRIN COMPLEX AND PHARMACEUTICAL PRODUCT CONTAINING SAME
    申请人:Japan Science and Technology Agency
    公开号:EP3266765B1
    公开(公告)日:2019-10-02
  • TREIBS A.; STRELL M.; GRIMM D.; GIEREN A.; SCHANDA F.; STRELL I., J. LIEBIGS ANN. CHEM., 1978, NO 2, 289-305
    作者:TREIBS A.、 STRELL M.、 GRIMM D.、 GIEREN A.、 SCHANDA F.、 STRELL I.
    DOI:——
    日期:——
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