1,3,5-tri-tert-butyl ((benzenetricarbonyltris(azanediyl)) tris(ethane-2,1-diyl))tricarbamate | 862299-07-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,3,5-tri-tert-butyl ((benzenetricarbonyltris(azanediyl)) tris(ethane-2,1-diyl))tricarbamate
• 英文别名: tert-butyl N-[2-[[3,5-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]benzoyl]amino]ethyl]carbamate
• CAS: 862299-07-8
• 化学式: C₃₀H₄₈N₆O₉
• 分子量: 636.746
• InChiKey: UVZPSODMVKQMBR-UHFFFAOYSA-N

物化性质

• 沸点：
  849.2±65.0 °C(Predicted)
• 密度：
  1.169±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  45
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  202
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1,3,5-tri-tert-butyl ((benzenetricarbonyltris(azanediyl)) tris(ethane-2,1-diyl))tricarbamate 在 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 1,3,5-benzene tricarboxylic acid tris-N-(2-aminoethyl) amide
  参考文献：
  名称：

  Supramolecular Compounds from Multiple Ugi Multicomponent Macrocyclizations:  Peptoid-based Cryptands, Cages, and Cryptophanes

  摘要：

  The first 3-fold multicomponent macrocyclizations of trifunctional building blocks were developed to produce, in one pot, cryptands, cages, and cryptophanes with peptoid tethers carrying additional recognition motifs. The straightforward, efficient, and diversity-oriented fashion by which these complex macromulticycles are obtained is suitable for building combinatorial libraries of synthetic receptors with potential applicability in catalysis and supramolecular and coordination chemistry. The strategy also easily allows creation of asymmetric macromulticyclic cavities, with up to 20 new bonds formed in one pot.

  DOI：

  10.1021/ja060720r
• 作为产物：
  描述：

  均苯三甲酸 以 四氢呋喃 为溶剂， 反应 25.0h， 生成 1,3,5-tri-tert-butyl ((benzenetricarbonyltris(azanediyl)) tris(ethane-2,1-diyl))tricarbamate
  参考文献：
  名称：

  Supramolecular Compounds from Multiple Ugi Multicomponent Macrocyclizations:  Peptoid-based Cryptands, Cages, and Cryptophanes

  摘要：

  The first 3-fold multicomponent macrocyclizations of trifunctional building blocks were developed to produce, in one pot, cryptands, cages, and cryptophanes with peptoid tethers carrying additional recognition motifs. The straightforward, efficient, and diversity-oriented fashion by which these complex macromulticycles are obtained is suitable for building combinatorial libraries of synthetic receptors with potential applicability in catalysis and supramolecular and coordination chemistry. The strategy also easily allows creation of asymmetric macromulticyclic cavities, with up to 20 new bonds formed in one pot.

  DOI：

  10.1021/ja060720r

文献信息

• [EN] BENZENE-1,3,5-TRICARBOXAMIDE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE BENZÈNE-1,3,5-TRICARBOXAMIDE ET UTILISATIONS DE CES DÉRIVÉS
  申请人：OHIO STATE INNOVATION FOUNDATION

  公开号：WO2016187531A1

  公开（公告）日：2016-11-24

  The present invention relates to compounds, compositions, lipid-like nanoparticles, and methods for delivery of therapeutic, diagnostic, or prophylactic agents (for example, a polynucleotide).

  本发明涉及化合物、组合物、类脂样纳米粒子以及用于传递治疗、诊断或预防剂（例如多核苷酸）的方法。
• CROSS-LINKED STAR-SHAPED SELF-ASSEMBLED POLYGLUTAMATES AND ITS USE AS CARRIERS IN BIOMEDICAL APPLICATIONS
  申请人：Centro Investigacion Principe Felipe

  公开号：EP3127938A1

  公开（公告）日：2017-02-08

  The invention relates to 3-arms star-shaped polyglutamic derivatives which are able to self-assemble to form bioresponsive nanometric globular structures with controllable size and shape. These multivalent constructs also present the ability of disassemble under specific physiological conditions and of linking covalently to agent(s) such as a drug and/or imaging probes and/or targeting moiety so that they can be used as carries in biomedical applications.

  该发明涉及能够自组装形成具有可控大小和形状的生物响应纳米球状结构的3臂星形多聚谷氨酸衍生物。这些多价构造体还具有在特定生理条件下解离以及共价连接到药物和/或成像探针和/或靶向基团等试剂的能力，因此它们可以用作生物医学应用中的载体。
• Well-Defined Star-Shaped Polyglutamates with Improved Pharmacokinetic Profiles As Excellent Candidates for Biomedical Applications
  作者：Aroa Duro-Castano、Richard M. England、David Razola、Eduardo Romero、Marta Oteo-Vives、Miguel Angel Morcillo、María J. Vicent

  DOI：10.1021/acs.molpharmaceut.5b00358

  日期：2015.10.5

  There is a need to develop new and innovative polymer carriers to be used as drug delivery systems and/or imaging agents owing to the fact that there is no universal polymeric system that can be used in the treatment of all diseases. Additionally, limitations with existing systems, such as a lack of biodegradability and biocompatibility, inevitably lead to side effects and poor patient compliance. New polymer therapeutics based on amino acids are excellent candidates for drug delivery, as they do not suffer from these limitations. This article reports on a simple yet powerful methodology for the synthesis of 3-arm star-shaped polyglutamic acid with well-defined structures, precise molecular weights (MW), and low polydispersity (D = <1.3). These were synthesized by ring-opening polymerization (ROP) of N-carboxyanhydrides (NCA) in a divergent method from novel multifunctional initiators. Herein, their exhaustive physicochemical characterization is presented. Furthermore, preliminary in vitro evaluation in selected cell models, and exhaustive in vivo biodistribution and pharmacokinetics, highlighted the advantages of these branched systems when compared with their linear counterparts in terms of cell uptake enhancement and prolonged plasma half-life.
• Artificial Peptide-Nanospheres Self-Assembled from Three-Way Junctions of β-Sheet-Forming Peptides
  作者：Kazunori Matsuura、Kazuya Murasato、Nobuo Kimizuka

  DOI：10.1021/ja052644i

  日期：2005.7.1

  Rational design of self-assembly of proteins, which plays pivotal roles in biology, is an important subject for biotechnology and also bottom-up nanotechnology. This paper has proposed a novel strategy for construction of artificial peptide-nanospheres by self-assembly. Mimicking formation of spherical viruses and clathrin, we designed a novel C3-symmetric peptide conjugate bearing three beta-sheet-forming peptides. These peptide conjugates formed antiparallel beta-structures and self-assembled into nanospheres with the size of about 20 nm in the acidic solution.
• Synthesis and Conformational Analysis of Novel Trimeric Maleimide Cross-Linking Reagents
  作者：Agnieszka Szczepanska、José Luis Espartero、Antonio J. Moreno-Vargas、Ana T. Carmona、Inmaculada Robina、Sarah Remmert、Carol Parish

  DOI：10.1021/jo0709293

  日期：2007.8.31

  Nine homotrifunctional cross-linking reagents are presented. Their synthesis and chemical properties as well as their characterization by classical mechanical conformational searching techniques is reported. Mixed Low Mode and Monte Carlo searching techniques were used to exhaustively sample the OPLS2005/GBSA(water) potential energy surface of trisubstituted cyclohexane and benzene derivatives of C3 symmetry. Geometric structure, molecular length, and hydrogen-bonding patterns were analyzed. Nonaromatic compounds exhibited exclusively chair conformations at low energies, with a preference for axial or equatorial arms depending upon the presence of additional ring substituent Me groups. Increasing chain length often resulted in overall shorter molecular length due to additional chain flexibility. These results were consistent with one- and two-dimensional temperature-dependent NMR studies.