Phenol,2,2',2'',2'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis- | 25186-28-1

• 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: Phenol,2,2',2'',2'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-
• 英文别名: 5,10,15,20-tetrakis(2-hydroxyphenyl)porphyrin；5,10,15,20-tetrakis(2'-hydroxyphenyl) porphyrin；5,10,15,20-tetrakis(meso-o-hydroxyphenyl)porphyrin；5,10,15,20-tetrakis(meso-p-hydroxyphenyl)porphyrin；5,10,15,20-Tetra-(2-O-hexadecylphenyl)porphyrin；5,10,15,20-tetrakis(o-hydroxyphenyl)porphyrin；5,10,15,20-tetrakis(2-hydroxyphenyl)porphine
• CAS: 25186-28-1；113890-94-1；113890-95-2；113890-96-3；113890-97-4
• 化学式: C₄₄H₃₀N₄O₄
• 分子量: 678.747
• InChiKey: RHBJMYOTXIENOZ-PABOUGRJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.15
• 重原子数：
  52.0
• 可旋转键数：
  4.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  138.28
• 氢给体数：
  6.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Phenol,2,2',2'',2'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis- 在 sodium carbonate 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.5h， 生成 (<<4-(tert-butyl)-2-(N,N-dimethylcarbamoyl)thio-1,3-phenylene>bis(trimethyleneoxy)>di-2,1phenylene)-10,20-(undecamethylenedioxydi-2,1-phenylene)porphyrin
  参考文献：
  名称：

  细胞色素P-450活性位点的合成模型。第一次沟通。一个双向桥接铁（II） -卟啉携带紧密结合的硫醇盐配位体的合成†

  摘要：

  所述双桥接铁（II）-tetraphenylporphyrin衍生物6，携带空间位固定小号-配体中的“近侧”位置，并在“远侧”现场基板，合成作为细胞色素P-450酶的模型。化合物36（6的CO配合物）显示出类似于天然细胞色素P-450的Soret分离带（403和457 nm）。

  DOI：

  10.1002/hlca.19870700425
• 作为产物：
  描述：

  在 四氯苯醌 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 Phenol,2,2',2'',2'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-
  参考文献：
  名称：

  Porphyrin Synthesis in Surfactant Solution:  Multicomponent Assembly in Micelles

  摘要：

  A synthesis of meso-substituted porphyrins in anionic sodium dodecyl sulfate micelles has been developed. Polar, functionalized aromatic aldehydes condense reversibly with pyrrole in the micellar phase. Oxidation of the porphyrinogen then provides functionalized porphyrins in yields of 10-48%. Hydrophobic aldehydes condense irreversibly to give low yields at practical substrate concentrations. Synthesis in D2O solution results in per-beta-deuterated porphyrins. A two-phase model is used to rationalize the dependence of porphyrin yield on reactant and surfactant concentration. Micelles are viewed as potential wells which promote porphyrinogen assembly by binding products more tightly than reactants.

  DOI：

  10.1021/jo9600161

文献信息

• Asymmetric cycloaddition reactions
  申请人：President and Fellows of Harvard College

  公开号：US06369223B2

  公开（公告）日：2002-04-09

  The present invention relates to a process for stereoselective cycloaddition reactions which generally comprises a cycloaddition reaction between a pair of substrates, each either chiral or prochiral, that contain reactive &pgr;-systems, in the presence of a non-racemic chiral catalyst, to produce a stereoisomerically enriched product. The present invention also relates to novel asymmetric catalyst complexes comprising a metal and an asymmetric tridentate ligand.

  本发明涉及一种立体选择性环加成反应过程，该过程通常包括在一对含有反应性π系统的底物之间进行环加成反应，每个底物要么是手性的，要么是潜手性的，在非对映体手性催化剂的存在下，产生立体异构体富集的产品。本发明还涉及新颖的非对称催化剂配合物，包括一个金属和一个非对称三齿配体。
• [EN] BIS(DIAZIRINE) DERIVATIVES AS PHOTO-CROSSSLINKER FOR TREATING CORNEAL ECTATIC DISORDERS<br/>[FR] DÉRIVÉS DE BIS(DIAZIRINE) UTILISÉS EN TANT QU'AGENT DE PHOTO-RÉTICULATION POUR LE TRAITEMENT DE TROUBLES ECTASIQUES DE LA CORNÉE
  申请人：AVEDRO INC

  公开号：WO2020154673A1

  公开（公告）日：2020-07-30

  This disclosure features bis(diazirine) derivatives of the formulae (I) (l-a) or (l-b) that generate cross-linking in the cornea in response to exposure to an electromagnetic irradiation (e.g. UV-light). The compounds are useful, e.g. for treating a subject (e.g. a human) having a disease, disorder or condition in which abnormal shaping of the cornea (e.g. thinning of the cornea, e.g. bilateral thinning of the cornea, e.g. bilateral thinning of the central, paracentral, or peripheral cornea, or steepening (e.g., bulging) of the cornea) contributes to the pathology and/or symptoms, and/or progression of the disease, disorder or condition. Examples of such diseases, disorders or conditions include: (i) corneal ectatic disorders; (ii) vision conditions; and (iii) diseases, disorders, or conditions that are sequela or comorbid with any of the foregoing or any disclosed herein. More particular examples of such diseases, disorders or conditions include keratoconus, keratoglobus, pellucid marginal degeneration, corneal ectasia (e.g. postoperative ectasia, e.g. post-LASIK ectasia), Terrien's marginal degeneration, myopia, hyperopia, astigmatism, irregular astigmatism and presbyopia. In some embodiments, the claimed methods can be performed in the absence of added or supplemental oxygen levels, which can be advantageous in some applications. Preferred exemplary compounds are e.g. bis(diazirine) amino acid derivatives, such as e.g. example 1:

  这份披露涉及到式(I) (l-a)或(l-b)的双(重氮基)衍生物，当暴露于电磁辐射（例如紫外光）时，在角膜中产生交联作用。这些化合物可用于治疗患有疾病、疾病或病况的受试者（例如人类），其中角膜的异常形态（例如角膜变薄，例如角膜双侧变薄，例如角膜中央、副中央或周边变薄，或角膜变陡（例如突出））导致病理和/或症状的发生，以及/或疾病、疾病或病况的进展。此类疾病、疾病或病况的示例包括：(i) 角膜扩张性疾病；(ii) 视力状况；以及(iii) 与前述任何疾病、疾病或病况或本文所披露的任何内容相关的后遗症或共病。此类疾病、疾病或病况的更具体示例包括角膜锥状变性、角膜球状变性、边缘淡化变性、角膜扩张（例如术后扩张，例如术后LASIK扩张）、Terrien边缘变性、近视、远视、散光、不规则散光和老视。在某些实施例中，声称的方法可以在没有额外或补充氧气水平的情况下进行，这在某些应用中可能是有利的。优选的示例化合物包括双(重氮基)氨基酸衍生物，例如示例1：
• [EN] SPECIFICALLY MESO-SUBSTITUTED PORPHYRINS AND CHLORINS FOR PHOTODYNAMIC THERAPY<br/>[FR] PORPHYRINES ET CHLORES MÉSO-SUBSTITUÉS DE FAÇON SPÉCIFIQUE POUR LA THÉRAPIE PHOTODYNAMIQUE
  申请人：BIOLITEC UNTERNEHMENSBETEILIGUNGS II AG

  公开号：WO2016051361A1

  公开（公告）日：2016-04-07

  Biologically active compounds that can be used as photosensitizers for diagnostic and therapeutic applications, particularly for PDT of cancer, infections and other hyperproliferative diseases, fluorescence diagnosis and PDT treatment of a non-tumorous indication such as arthritis, inflammatory diseases, viral or bacterial infections, dermatological, opthamological or urological disorders are provided as well as providing methods to obtain them in pharmaceutical quality. One embodiment consists of a method to synthesize a porphyrin with a defined arrangement of meso-substituents and then converting this porphyrin system to a chlorin system by dihydroxylation or reduction, and if more than one isomer is formed separate them by chromatography either on normal or reversed phase silica. In another embodiment the substituents on the porphyrin are selected to direct the reduction or dihydroxylation to the chlorin so that a certain isomer is selectively formed. Another embodiment is to provide amphiphilic compounds with a higher membrane affinity and increased PDT-efficacy. In other embodiments the nucleophilic substitution on pentafluorophenyl-substituted tetrapyrroles is used to obtain compounds with a high PDT-efficacy. In another embodiment substituents are identified that via their steric and/or electronic influence direct the dihydroxylation or reduction with diimine so that one isomer is favored. Another embodiment consists of formulating the desired tetrapyrrole photosensitizer into a pharmaceutical formulation to be injected into the body avoiding undesirable effects like solubility problems or delayed pharmacokinetics of the tetrapyrrole systems.

  提供可用作诊断和治疗应用的光敏化合物，特别是用于光动力疗法治疗癌症、感染和其他高增殖性疾病，以及用于非肿瘤指示如关节炎、炎症性疾病、病毒或细菌感染、皮肤病、眼科或泌尿系统疾病的荧光诊断和光动力疗法治疗，同时提供获得这些化合物的制药质量的方法。一个实施例包括一种合成具有定义的间位取代基排列的卟啉的方法，然后通过二羟基化或还原将该卟啉系统转化为氯卟啉系统，并且如果形成多个异构体，则通过在正相或反相硅胶上进行色谱分离它们。在另一个实施例中，选择卟啉上的取代基以将还原或二羟基化定向到氯卟啉，从而选择性地形成某个异构体。另一个实施例是提供具有更高膜亲和力和增加的光动力疗效的两性化合物。在其他实施例中，利用对五氟苯基取代的四吡咯烯的亲核取代来获得具有高光动力疗效的化合物。在另一个实施例中，确定通过它们的立体和/或电子影响引导二羟基化或二亚胺还原的取代基，以便偏好某个异构体。另一个实施例包括将所需的四吡咯光敏化合物配制成药物制剂，注射到体内，避免不良影响，如溶解度问题或四吡咯系统的延迟药代动力学。
• 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。
• Microwave-assisted synthesis of a new series of resorcin[4]arene cavitand-capped porphyrin capsules
  作者：Michael G. McKay、Thandanani Cwele、Holger B. Friedrich、Glenn E. M. Maguire

  DOI：10.1039/b907547j

  日期：——

  receptors are fundamental to the modeling of biological host–guest interactions such as those characteristic of enzymatic processes. Among the more versatile and effective synthetic receptors are the hemicarcerand-type hosts. Herein we report the synthesis of six novel resorcin[4]arene cavitand-capped porphyrin capsules, in a new series of molecular capsules modeled on the classical hemicarcerands initially

  胶囊状分子受体对于生物宿主-客体相互作用（例如酶促过程的特征）建模的基础是至关重要的。半角质型宿主是更加通用和有效的合成受体。在此，我们报道了六种新型间苯二酚[4]芳烃cavitand-封端的合成卟啉胶囊，是一系列新的分子胶囊的模型，这些分子胶囊是由Cram及其同事最初报道的经典半癌的模型制成的。在第一个报道的其在超分子封端的制备中的利用的实例中卟啉在宿主分子中，使用微波（MW）辐射（结合Adler条件）以原位形成卟啉帽。另外，相对于迄今报道的传统回流方案，通过这些条件获得的产率显示出显着的提高。第20–25胶囊无限稳定，我们观察到22和25的胶体具有迄今报道的间苯二酚[4]芳烃空泡封端的最小刚性腔卟啉 宿主分子。