1,3,7,9-tetramethyldipyrromethene hydrochloride | 67036-97-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1,3,7,9-tetramethyldipyrromethene hydrochloride
• 英文别名: 3,5,3',5'-tetramethyl-dipyrromethene-(2,2') hydrochloride；2-((3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)-3,5-dimethyl-1H-pyrrole monohydrochloride；(3,5-dimethyl-pyrrol-2-yl)-(3,5-dimethyl-pyrrol-2-ylidene)-methane; hydrochloride；(3,5-Dimethyl-pyrrol-2-yl)-(3,5-dimethyl-pyrrol-2-yliden)-methan; Hydrochlorid；Bis-(3,5-dimethyl-pyrrol-2-yl)-methinium-chlorid；2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrochloride
• CAS: 67036-97-9
• 化学式: C₁₃H₁₆N₂*ClH
• 分子量: 236.744
• InChiKey: SONPMPUHCHDTQZ-UHFFFAOYSA-N

物化性质

• 熔点：
  220-224 °C

计算性质

• 辛醇/水分配系数(LogP)：
  3.82
• 重原子数：
  16
• 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：
  2
• 氢受体数：
  1

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  1,3,7,9-tetramethyldipyrromethene hydrochloride 在 四氯化碳 、 氯仿 、 溴 作用下， 生成 4,4'-Dibrom-3,5,3',5'-tetramethyl-pyrromethen-Hydrobromid
  参考文献：
  名称：

  A Reinvestigation of the Configuration of Hemin¹

  摘要：

  DOI：

  10.1021/ja01852a010
• 作为产物：
  描述：

  4,4-二氟-1,3,5,7-四甲基-4-硼杂-3a,4a-二氮杂对称引达省 在 三氯化硼 作用下， 以 正庚烷 、 二氯甲烷 为溶剂， 以75.9 %的产率得到1,3,7,9-tetramethyldipyrromethene hydrochloride
  参考文献：
  名称：

  COMPOUND AND OPTICAL FILM COMPRISING SAME

  摘要：

  The present specification relates to a compound represented by Chemical Formula 1, a composition for forming an optical film and an optical film including the same, and a display device including the optical film.

  公开号：

  US20230111104A1

文献信息

• Neutral copper(<scp>i</scp>) dipyrrin complexes and their use as sensitizers in dye-sensitized solar cells
  作者：Tracy E. Hewat、Lesley J. Yellowlees、Neil Robertson

  DOI：10.1039/c3dt53334d

  日期：——

  from 450 nm to 600 nm. Complex 3 shows photoluminescence lifetime in the order of nanoseconds suggesting singlet fluorescence which is supported by theoretical calculations. Study of the complexes as sensitisers in dye-sensitised solar cells was achieved by assembling the dye in situ on the surface of TiO2 in a series of steps (anchoring ligand followed by ancillary ligand and [Cu(CH3CN)4][BF4]. The highest

  合成了具有通式[Cu（4,4'-（R）-6,6'-（CH 3）-联吡啶）（联吡啶）]，R = CH 3或CO的杂多性中性铜（I）双吡啶复合物2 Et和H-联吡啶为1,3,7,9-四甲基联吡啶（HL1），1,13-联苯-6,8-二异吲哚亚甲基（HL2）或1,13-联苯-3,11 -di（三氟甲基）-6，8-二异吲哚基亚甲基（HL3）。在整个L1-L3系列中观察到了更高的稳定性，这可能是由于配体之间更好的空间约束所致。从450 nm到600 nm的吸收发生红移，可见光吸收也得到了增强。复杂3显示了以纳秒为单位的光致发光寿命，暗示了单峰荧光，这得到了理论计算的支持。染料敏化太阳能电池中作为敏化剂的配合物的研究是通过在一系列步骤中将染料原位组装在TiO 2的表面上来实现的（先将配体锚固，然后是辅助配体和[Cu（CH 3 CN）4 ] [BF 4 ]。含HL3的染料实现的最高效率为0.41％，这归因于更好的氧化势，染料再生效果更好。
• 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，例如电压门控钠通道（VGSC）和前列腺电压钠通道（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。
• Na channels, disease, and related assays and compositions
  申请人：Brown Milton L.

  公开号：US08816095B2

  公开（公告）日：2014-08-26

  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 [3H]-Batrachotoxin-B ([3H]-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.

  本发明揭示了分子及其合成方法，用于阻断电控离子通道，例如电压门控钠通道（VGSCs）和前列腺电压钠通道（PVSCs）。这些抑制剂具有卓越的阻断效力，例如在置换结合到VGSC的2号位点的放射性配体[3H]-Batrachotoxin-B（[3H]-BTX-B）时。本发明的分子包括一种基团，增加分子对前列腺癌细胞（PCs）中蛋白质结合位点的结合亲和力，并且还具有荧光性。在一种实施例中，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VGSCs，从而抑制疼痛、癫痫或前列腺癌中的PCs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。
• Fischer; Adler, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1931, vol. 197, p. 237,245, 278
  作者：Fischer、Adler

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ni: MVol.C1, 96, page 226 - 228
  作者：

  DOI：——

  日期：——