29H,31H-tetrabenzo[b,g,l,q]-5,10,15-triaza-porphine | 7125-35-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 29H,31H-tetrabenzo[b,g,l,q]-5,10,15-triaza-porphine
• 英文别名: 5,10,15-Triaza-tetrabenzo[b,g,l,q]porphyrin；2,11,20,37,38,39,40-Heptazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene；2,11,20,37,38,39,40-heptazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,12(39),13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene
• CAS: 7125-35-1
• 化学式: C₃₃H₁₉N₇
• 分子量: 513.561
• InChiKey: SKIXPUOOSFSDLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  40
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  96
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  29H,31H-tetrabenzo[b,g,l,q]-5,10,15-triaza-porphine 、 copper diacetate 以 吡啶 为溶剂， 生成 tetrabenzo[b,g,l,q][5,10,15]triazaporphinatocopper(II)
  参考文献：
  名称：

  Khelevina, O. G.; Berezin, B. D.; Petrov, O. A., Koordinatsionnaya Khimiya, 1990, vol. 16, p. 558 - 562

  摘要：

  DOI：
• 作为产物：
  描述：

  甲基锂 、 1,2-二氰基苯 在 乙醚 作用下， 生成 29H,31H-tetrabenzo[b,g,l,q]-5,10,15-triaza-porphine
  参考文献：
  名称：

  Non-linear mixed effects modeling of sparse concentration data from rats: Application to a glycogen phosphorylase inhibitor

  摘要：

  We investigated the use of non-linear mixed effects modeling in two preclinical studies of the glycogen phosphorylase inhibitor 1,4-dideoxy-1,4-imino-D-arabinitol (DAB). In a 28-day repeated-dose toxicity study rats were dosed once daily p.o. with 0, 20, 45, 100, or 470 mg/kg of DAB in aqueous solutions by oral gavage. Three blood samples were obtained from each animal using a staggered sampling scheme. During the cause of model development, data were included from a safety pharmacological cardiovascular study, in which rats were dosed once orally with 0, 4, 40, or 400 mg/kg of DAB thereby enabling an extension of the dose range of the model. DAB was assayed in plasma using a validated LC/MS/MS method. Non-linear mixed effects modeling was performed using the software NONMEM. The covariate analysis comprised dose, sex and time. Exposure results (C-max, AUC) obtained by mixed effects modeling were compared to results from noncompartmental analysis using naive pooling of data. The final model was a one-compartment model with first order absorption and a saturation-like dose dependent increase of the (oral) clearance (CL/f) and volume of distribution (V/f). Furthermore, V/f increased (by 55%) from Day 1 to Day 28. The dose dependencies of CL/f and V/f were most likely due to dose dependent decreases of the fraction systemically absorbed (f). The mechanism behind the dose dependencies may be saturation of a (putative) carrier mediated transport or modulation of tight junctions causing a reduced paracellular transport across the intestinal epithelium. Exposure results obtained from the model compared well with results obtained using noncompartmental analysis. An analysis of the data requirements for non-linear mixed effects modeling showed that at least three concentration values per animal were required for model development. We conclude that non-linear mixed effects modeling is feasible even with dose dependent pharmacokinetics in preclinical studies, such as 28-day toxicity studies in rodents. Supplementing data from additional preclinical studies may be required in order to extend the dose range. Non-linear mixed effects models may prove to be valuable tools in early PK and PK-PD modeling during drug development.

  DOI：

  10.1007/bf03190459

文献信息

• Heterocyclische Verbindungen und daraus erhältliche Porphyrin-Verbindungen
  申请人：BAYER AG

  公开号：EP0428013A2

  公开（公告）日：1991-05-22

  Porphyrine der Formel mit den in der Beschreibung angegebenen Substituentenbedeutungen erhält man durch Erhitzen von Verbindungen der Formel gegebenenfalls in Gegenwart von Verbindungen der Formel Die Porphyrine finden Verwendung als Pigmente.

  式中的卟啉 式的卟啉，其取代基的含义见说明。 可选择在存在式化合物的情况下 卟啉可用作颜料。
• Electrophotographic recording material containing phthalocyanines
  申请人：AGFA-GEVAERT naamloze vennootschap

  公开号：EP0573084A1

  公开（公告）日：1993-12-08

  An electrophotographic recording material comprising a conductive support and a photosensitive layer containing a photoconductive crystalline substituted metal-free phthalocyanine compound and/or mixed crystals of said substituted metal-free phthalocyanine compounds with unsubstituted metal-free phthalocyanine, wherein said substituted metal-free phthalocyanine compound represented by general formula (I) defined herein contains a halogen, nitro or cyano substituent, and the major part by weight of said substituted metal-free phthalocyanine compound and the mixed crystals of said substituted metal-free phthalocyanine compound with unsubstituted metal-free phthalocyanine is (are) present in the X-morphological form.

  一种电子照相记录材料，包括导电支架和感光层，其中感光层含有感光晶体取代的无金属酞菁化合物和/或所述取代的无金属酞菁化合物与未取代的无金属酞菁的混合晶体、其中，由本文定义的通式（I）代表的所述取代的无金属酞菁化合物含有卤素、硝基或氰基取代基，且按重量计，所述取代的无金属酞菁化合物和所述取代的无金属酞菁化合物与未取代的无金属酞菁的混合晶体的主要部分以 X 形态存在。
• Gas reactive pigment, gas detector using the same, and gas detection method and apparatus using the detector
  申请人：EBARA CORPORATION

  公开号：EP0733901A2

  公开（公告）日：1996-09-25

  A gas reactive pigment reactive to at least one of a halogen gas, a hydrogen halide gas, an acidic gas, an oxidizing gas, a basic gas, and an organic acid gas is provided. The pigment comprises a metal complex of tetraphenylporphyrin or a derivative thereof represented by formula (I) wherein M represents a transition metal; a plurality of R's independently represent a hydrogen atom, a halogen atom, a nitro group, a cyano group or an alkoxy group, or a tetraphenylporphyrin derivative represented by formula (II) wherein a plurality of R's independently represent a hydrogen atom, a halogen atom, a nitro group, a cyano group or an alkoxy group; a plurality of G's on the 4 phenyl groups all represent a substituent selected from a halogen atom, a hydroxyl group, a sulfonic acid group, a carboxyl group, an alkoxy group, and an amino group, the positions of which on the 4 phenyl groups may be the same or different; and a, b, c and d which may be the same or different, each represents an integer of 0 to 5, indicating the number of G's on each phenyl group; provided that the compound wherein all R's represent a hydrogen atom, and a, b, c and d all represent 0 is excluded. A detector for the above gases containing the reactive pigment; a method for detecting the above gases using the detector; and a detection apparatus for the above gases using the detector are also provided. The gas reactive pigment shows a color change, which can be measured in terms of the absorption spectrum change of said pigment at high sensitivity on contact with the above gases.

  本发明提供了一种对卤素气体、卤化氢气体、酸性气体、氧化性气体、碱性气体和有机酸气体中至少一种气体具有反应性的气体活性颜料。该颜料包括四苯基卟啉的金属络合物或其衍生物，由式（I）表示 其中 M 代表过渡金属；多个 R 独立地代表氢原子、卤素原子、硝基、氰基或烷氧基，或由式 (II) 代表的四苯基卟啉衍生物 其中多个 R 独立地代表氢原子、卤素原子、硝基、氰基或烷氧基；4 个苯基上的多个 G 均代表选自卤素原子、羟基、磺酸基、羧基、烷氧基和氨基的取代基，其在 4 个苯基上的位置可以相同或不同；a、b、c 和 d 可以相同或不同，各代表 0 至 5 的整数，表示每个苯基上 G 的数目；但不包括所有 R 代表氢原子，且 a、b、c 和 d 均代表 0 的化合物。 此外，还提供了一种含有活性颜料的上述气体的检测器；一种使用该检测器检测上述气体的方法；以及一种使用该检测器检测上述气体的检测装置。气体活性颜料显示出颜色变化，这种颜色变化可以通过所述颜料与上述气体接触时的高灵敏度吸收光谱变化来测量。
• Optical recording medium and novel azaporphyrin compound
  申请人：Mitsui Chemicals, Inc.

  公开号：EP1262966A2

  公开（公告）日：2002-12-04

  An optical recording medium having a recording layer which contains at least one compound selected from the group consisting of mono-, di-, and triazaporphyrin compounds optionally in the form of a metal complex; or an optical recording medium comprising a substrate and formed thereon at least a recording layer containing an organic dye as a main component, characterized in that the organic dye has a first maximum value of absorption at a wavelength λ1 of 400 nm or less in the absorption spectrum and has a second maximum value of absorption at a longer-wavelength side than the λ1, and a wavelength band wherein the refractive index (n) and the absorption coefficient (k) of the above organic dye satisfy n ≥ 1.90 and 0.03 ≤ k ≤ 0.30.

  一种光学记录介质，其记录层含有至少一种选自由金属络合物形式的单氮杂卟啉、二氮杂卟啉和三氮杂卟啉化合物组成的组中的化合物；或一种光学记录介质，包括基底和在基底上形成的至少含有一种有机染料作为主要成分的记录层，其特征在于，该有机染料在吸收光谱中波长λ1为400纳米或更小的波长处具有第一最大吸收值，并且在比λ1更长的波长侧具有第二最大吸收值，以及上述有机染料的折射率(n)和吸收系数(k)满足n≥1.90 和 0.03 ≤ k ≤ 0.30。
• Procédé de traitement photoprotecteur des fibres kératiniques teintées artificiellement par application de chaleur
  申请人：L'Oreal

  公开号：EP1738739A1

  公开（公告）日：2007-01-03

  La présente invention a pour objet un procédé de traitement des fibres kératiniques teintes artificiellement par coloration directe ou par coloration d'oxydation,, en particulier des cheveux humains, qui comprend l'application sur lesdites fibres kératiniques d'une composition comprenant au moins un agent protecteur dont le log P est inférieur ou égal à 6, puis l'application sur les fibres d'un fer chauffant dont la température est supérieure ou égale à 60°C. La présente invention a pour objet également l'utilisation dudit procédé pour protéger les fibres kératiniques teintes artificiellement par coloration directe ou par coloration d'oxydation, en particulier les cheveux humains contre l'action des agents atmosphériques et notamment contre l'action de la lumière.

  本发明的目的是一种处理通过直接染料或氧化染色法进行人工染色的角蛋白纤维，特别是人的头发的工艺，该工艺包括在上述角蛋白纤维上涂抹一种组合物，该组合物包含至少一种对数 P 小于或等于 6 的保护剂，然后在纤维上涂抹温度大于或等于 60°C 的加热熨斗。 本发明的另一个目的是利用上述工艺保护通过直接染料或氧化染色法进行人工染色的角蛋白纤维，特别是人的头发，使其免受大气介质的作用，尤其是光的作用。