13,17-bis{2-(methoxycarbonyl)ethyl}-3,8-divinyl-2,7,12,18-tetramethyl-5-azaporphyrin | 141622-84-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 13,17-bis{2-(methoxycarbonyl)ethyl}-3,8-divinyl-2,7,12,18-tetramethyl-5-azaporphyrin
• 英文别名: 13,17-bis<2-(methoxycarbonyl)ethyl>-3,8-divinyl-2,7,12,18-tetramethyl-5-azaporphyrin；5-Azaprotoporphyrin-IX-dimethylester
• CAS: 141622-84-6
• 化学式: C₃₅H₃₇N₅O₄
• 分子量: 591.71
• InChiKey: RJTGKKZGUVYOKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.08
• 重原子数：
  44.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  122.85
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  zinc diacetate 、 13,17-bis{2-(methoxycarbonyl)ethyl}-3,8-divinyl-2,7,12,18-tetramethyl-5-azaporphyrin 以 甲醇 、 二氯甲烷 为溶剂， 生成 zinc;methyl 3-[5,20-bis(ethenyl)-14-(3-methoxy-3-oxopropyl)-4,9,15,19-tetramethyl-2,22,24-triaza-21,23-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-10-yl]propanoate
  参考文献：
  名称：

  空气中氨气处理绿血红素 IXα 二甲酯产物的化学研究

  摘要：

  Verdohemochrome IXα 二甲酯 [双（吡啶）铁 (II) 5-氧杂原卟啉 IX 二甲酯] 在空气中用氨处理后得到 5-氮杂原血红素 IX 二甲酯 (2) 和六种三吡啉衍生物，然后进行甲基化。在硫酸亚铁存在下，2 与浓 HCl 在乙酸中反应，然后甲基化得到脱金属产物，5-氮杂原卟啉 IX 二甲酯 (8)，伴随着通过水合和还原两种或一种乙烯基获得的产物8. 8,12-双[2-(甲氧羰基)乙基]-3,7,13-trimethyl-1-oxo-2-vinyltripyrrin-14-carbaldehyde 的基团，作为主要的三吡啉产物通过 1 的氧化降解获得在空气中与 Tl(OAc)3 反应得到吡咯亚甲基衍生物 3,7-双[2-(甲氧基羰基)乙基]-2,8-二甲基-1-甲氧基-5-吡咯亚甲基-9-甲醛。

  DOI：

  10.1246/bcsj.60.4037
• 作为产物：
  描述：

  在 吡啶 、 trimethylsilylpolyphosphate 、 氨 、 氯化铵 作用下， 生成 13,17-bis{2-(methoxycarbonyl)ethyl}-3,8-divinyl-2,7,12,18-tetramethyl-5-azaporphyrin
  参考文献：
  名称：

  氮杂绿素-从胆红素合成新型的氢卟啉结构

  摘要：

  氮杂绿素2b通过单线态氧的区域选择性环加成反应，由易于获得的氮杂卟啉5b合成了新型的氢卟啉类化合物2。氮杂二恶英2b的光物理性质建议将这些二氢卟酚衍生物用作潜在的标记物和光敏剂，用于肿瘤治疗。

  DOI：

  10.1016/0040-4039(92)88120-t

文献信息

• COMPOSITIONS, APPARATUS, SYSTEMS, AND METHODS FOR RESOLVING ELECTRONIC EXCITED STATES
  申请人：HALLSTAR INNOVATIONS CORP.

  公开号：US20140044654A1

  公开（公告）日：2014-02-13

  The present disclosure relates, according to some embodiments, to molecules, including conjugated fused polycyclic molecules, that may receive excited state energy from other molecules (e.g., light-absorbing molecules) or directly from the irradiation sources. According to some embodiments, the disclosure relates to molecules, including conjugated fused polycyclic molecules, that may resolve (e.g., quench, dissipate) excited state energy, normally by way of releasing it as heat. (e.g., as heat). Conjugated fused polycyclic molecules of various structures are disclosed including Formula III: The disclosure further relates to methods of use and/or therapy using molecules of Formulas I, II, and/or III.

  本公开涉及一些实施例，涉及分子，包括共轭融合多环分子，这些分子可以从其他分子（例如吸收光的分子）或直接从辐射源接收激发态能量。根据一些实施例，本公开涉及分子，包括共轭融合多环分子，这些分子可以通过释放为热量的方式解决（例如，熄灭，耗散）激发态能量。披露了具有各种结构的共轭融合多环分子，包括式III。本公开还涉及使用式I、II和/或III的分子进行治疗和/或疗法的方法。
• Metallotetrapyrrolic photosensitizing agents for use in photodynamic therapy
  申请人：——

  公开号：US20030105069A1

  公开（公告）日：2003-06-05

  Metallotetrapyrrolic compounds having photherapeutic properties useful in photodetection and phototherapy of target issues, particularly porphyrins and azaporphyrins that including gallium in the central pyrrolic core. Also disclosed are methods of using metallotetrapyrrolic compounds for the treatment or detection of cardiovascular disease.

  具有光治疗性质的金属四吡咯化合物在靶组织的光检测和光治疗中有用，特别是在中心吡咯环中包含镓的卟啉和氮杂卟啉。此外，还公开了使用金属四吡咯化合物治疗或检测心血管疾病的方法。
• Drug delivery system for hydrophobic drugs
  申请人：QLT, Inc.

  公开号：EP1900357A2

  公开（公告）日：2008-03-19

  Compositions comprising microaggregates containing hydrophobic drugs, as well as methods for their production, are described. Such microaggregates may include micelle structures or combinations thereof with liposomes, and constitute an effective delivery vehicle for a hydrophobic agent. Methods for microaggregate production include the use of preferred lipid compounds and processing conditions favoring the production of small aggregates for improved filter sterilization.

  本文介绍了由含有疏水性药物的微团聚体组成的组合物及其生产方法。这种微团聚体可包括胶束结构或其与脂质体的组合，并构成疏水性药物的有效递送载体。微团聚体的生产方法包括使用优选的脂质化合物和有利于生产小团聚体的加工条件，以提高过滤灭菌效果。
• Method of quenching singlet and triplet excited states of photodegradable pigments, such as porphyrin compounds, particularly protoporphyrin IX, with conjugated fused tricyclic compounds having electron withdrawing groups, to reduce generation of singlet oxygen
  申请人：Hallstar Innovations Corp.

  公开号：US10632096B2

  公开（公告）日：2020-04-28

  A method of quenching excited state energy from a photodegradable pigment that has been excited by absorption of light having a wavelength in the wavelength range of 290-800 nm, comprising reacting a pigment with a conjugated fused tricyclic compound having electron withdrawing groups of Formula (II) or a salt thereof: wherein: A is selected from the group consisting of O, S, C═O, C═S, B1, B2, D1 and D2 are each independently selected from the group consisting of F, Cl, Br, I, CF3, CC13, NR33+, NO2, CN, C(═O)R4, C(═O)OR′, SO2R5, aryl, and —C═CHR6; each m independently is 0, 1, 2, 3, or 4; a is 0 or 1; each R′ is independently selected from the group consisting of LI, alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, and aryl; R2 is selected from the group consisting of H, alkyl, cycloalkyl, alkenyl, alkynyl, and aryl; each R3 is independently selected from the group consisting of H and C1-C6 alkyl; each R4 is independently selected from the group consisting of H, alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, and aryl; each R5 is independently selected from the group consisting of H, O, OH, NH2, and Cl; and each R6 is-independently selected from the group consisting of alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, and aryl.

  一种淬灭光降解颜料激发态能量的方法，该颜料通过吸收波长在 290-800 纳米范围内的光而激发，该方法包括使颜料与具有式 (II) 或其盐类电子萃取基团的共轭熔融三环化合物反应： 其中： A 选自 O、S、C═O、C═S 所组成的组、 B1、B2、D1 和 D2 各自独立地选自由 F、Cl、Br、I、CF3、CC13、NR33+、NO2、CN、C(═O)R4、C(═O)OR′、SO2R5、芳基和-C═CHR6 组成的组； 每个 m 独立地为 0、1、2、3 或 4； a 是 0 或 1； 每个 R′独立地选自由 LI、烷基、烯基、炔基、环烷基、环烯基和芳基组成的组； R2 选自由 H、烷基、环烷基、烯基、炔基和芳基组成的组； 每个 R3 独立选自由 H 和 C1-C6 烷基组成的组 每个 R4 独立地选自由 H、烷基、烯基、炔基、环烷基、环烯基和芳基组成的组； 每个 R5 独立地选自由 H、O、OH、NH2 和 Cl 组成的组；以及 每个 R6 独立地选自由烷基、烯基、炔基、环烷基、环烯基和芳基组成的组。
• Additives for curable liquid compositions
  申请人：DURA Chemicals, Inc.

  公开号：US10696863B2

  公开（公告）日：2020-06-30

  Transition metal complex siccatives are provided. Aspects of the siccatives include a transition metal complexed with a cyclic tetradentate ligand. Aspects of the invention further include compositions that include the siccatives, as well as methods of making and using the same. Aspects of the invention further include use of the siccatives as a catalyst in various syntheses.

  本研究提供了过渡金属络合干燥剂。这些吸附剂包括过渡金属与环状四价配体的络合物。本发明的各方面还包括包含这些吸附剂的组合物，以及制造和使用这些组合物的方法。本发明的各个方面还包括在各种合成中使用这些短链氯化石蜡作为催化剂。