| 17144-19-3

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 均相卤素
• CAS: 17144-19-3
• 化学式: C₁₅H₁₁O₂Pol
• InChiKey: PNDPGZBMCMUPRI-XXSWNUTMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  2
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  在 哌啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 graphite
  参考文献：
  名称：

  WO2006/53748

  摘要：

  公开号：
• 作为产物：
  描述：

  氢碘酸 在 H₂O₂ 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  Stable Containment of Radionuclides on the Nanoscale by Cut Single-Wall Carbon Nanotubes

  摘要：

  The physisorption of radiolabeled I-125(-) ions from aqueous solution and the Brunauer-Emmett-Teller (BET) surface areas of various carbonaceous materials [HiPco single-wall carbon nanotubes (SWNTs), F-SWNTs, cut SWNTs, charcoal, graphite, F-graphite and C-60] have been measured and compared. By far, cut SWNTs (mainly 20-50 nm lengths) displayed the largest surface area of the materials (1180 m(2)-g(-1)), being approximately double that of uncut SWNT and charcoal. At low concentrations of I-125(-), nearly all of the I-125(-) was adsorbed from aqueous solution within 1 min at room temperature by the cut SWNTs, uncut SWNTs, and charcoal; the other materials showed much less adsorption under the same conditions. Once adsorbed, the I-125(-) wash-off rate by pure water was highly variable but was especially slow for cut SWNTs (t(1/2) approximate to 2720 h) compared to the other materials; wash-off of I-125(-) by an aqueous H2O2 solution (I-125(-) -> H2O2 I-125(2)) was even slower (t(1/2) approximate to 14 300 h). Taken together, these data demonstrate the greatly increased surface area and dramatically enhanced retention properties of cut SWNTs over uncut SWNTs.

  DOI：

  10.1021/jp0456436
• 作为试剂：
  描述：

  2-sec-Butyl-6-[(3-dimethylamino-propylamino)-methyl]-4-iodo-phenol 在 盐酸 、 iodine-125 作用下， 反应 0.25h， 生成 2-(sec-butyl)-6-(((3-(dimethylamino)propyl)amino)methyl)-4-(iodo-125I)phenol
  参考文献：
  名称：

  放射性碘标记的N，N-二甲基-N'-（2-羟基-3-烷基-5-碘苄基）-1,3-丙二胺用于脑灌注成像。

  摘要：

  DOI：

  10.1021/jm00356a001

文献信息

• Diagnostic or therapeutic somatostatin or bombesin analog conjugates and uses thereof
  申请人：Coy H. David

  公开号：US20050070470A1

  公开（公告）日：2005-03-31

  Disclosed are peptide agents and uses thereof that are analogs of biologically active peptides such as somatostatin and bombesin. The compounds of the invention have the general formula X-Y-Z-Q, where X is a cytotoxic agent, therapeutic agent, detectable label or chelating group, and Q is a biologically active peptide. In peptide agents of the invention Y is optionally a hydrophilic polymer or peptide, and Z is a linking peptide bonded to Q at the amino terminus of Q, having two, three, four, or five, amino acid residues selected to link X to Q, while retaining the biological activity of Q. Methods of using these peptide agents in the diagnosis and treatment of diseases are also disclosed.

  披露了肽剂及其用途，它们是生物活性肽的类似物，例如生长抑素和蛙皮素。发明的化合物具有通式X-Y-Z-Q，其中X是细胞毒素、治疗剂、可检测的标签或螯合基团，Q是生物活性肽。在发明的肽剂中，Y是可选的水溶性聚合物或肽，Z是与Q的氨基端连接的连接肽，具有两个、三个、四个或五个氨基酸残基，选择将X连接到Q，同时保留Q的生物活性。还披露了使用这些肽剂在疾病的诊断和治疗中的方法。
• Peptoid agonists of nerve growth factor and their use as medicaments
  申请人：Institut d'Investigacions Biomédiques August PI I Sunyer

  公开号：EP2289886A1

  公开（公告）日：2011-03-02

  New peptoid agonists of Nerve Growth Factor and it use as medicaments. Neurotrophin binding to its specific receptors Trk A and p75 leads to the activation of multiple signalling cascades, culminating in neuroprotective and regenerative effects, including neuronal survival and neurite outgrowth. Neurotrophic factors have been used for the treatment of several neurodegenerative diseases. However, their use is limited by their inability to cross the blood-brain barrier, their short half life and their side effects. Small molecule neurotrophin mimetics may be beneficial in treating a number of neurodegenerative disorders. The present invention shows the capacity of nerve growth factor agonist molecules to induce differentiation in PC12 cells, promote survival in RN22 cells and activate Trk A, IkBα and SAPK/JNK phosphorylation to various extents in both cell lines. In addition these molecules were able to ameliorate acute experimental autoimmune encephalomyelitis (EAE), a multiple sclerosis (MS) animal model, inhibiting brain inflammation and reducing brain damage. We also observed suppression in the production of pro-inflammatory genes like the inducible nitric oxide synthase. These small molecules with NGF agonist activity may be beneficial for MS and other neurodegenerative diseases due to its neuroprotective and immunomodulatory properties.

  新的肽类神经生长因子激动剂及其用作药物。神经营养因子与其特定受体Trk A和p75结合，导致多个信号级联的激活，最终产生神经保护和再生效应，包括神经元存活和神经突起生长。神经营养因子已被用于治疗多种神经退行性疾病。然而，它们的使用受到其无法穿越血脑屏障、短半衰期和副作用的限制。小分子神经营养因子拟拟物可能有助于治疗多种神经退行性疾病。本发明显示了神经生长因子激动剂分子诱导PC12细胞分化、促进RN22细胞存活以及在这两种细胞系中以不同程度激活Trk A、IkBα和SAPK/JNK磷酸化的能力。此外，这些分子还能改善急性实验性自身免疫性脑脊髓炎（EAE），即多发性硬化（MS）动物模型，抑制脑部炎症并减少脑损伤。我们还观察到对诱导型一氧化氮合酶等促炎基因的产生有抑制作用。这些具有NGF激动剂活性的小分子可能由于其神经保护和免疫调节特性对MS和其他神经退行性疾病有益。
• [EN] SYNTHETIC CYCLIC PEPTIDE MIMETICS<br/>[FR] MIMÉTIQUES DE PEPTIDES CYCLIQUES SYNTHÉTIQUES
  申请人：UNIV BAR ILAN

  公开号：WO2022054062A1

  公开（公告）日：2022-03-17

  Described herein are synthetic cyclic peptide mimetic s comprising alternating D-amino acids and L-amino acids and amino acid derivatives, such as aza-amino acids and azasulfuryl- amino acids. Optionally, the cyclic peptide mimetic s may be conjugated to another agent via a linker to form cyclic peptide mimetic conjugates. The cyclic peptide mimetic s described herein may be used as diagnostic or therapeutic agents for diagnosis or treatment of amyloidogenic diseases.

  本文描述了一种合成的环状肽类似物，包括交替使用的D-氨基酸和L-氨基酸以及氨基酸衍生物，如氮杂氨基酸和氮杂硫酰氨基酸。可选地，可以通过连接剂将环状肽类似物与另一种药物结合形成环状肽类似物偶联物。本文所描述的环状肽类似物可用作诊断或治疗淀粉样蛋白病的诊断或治疗剂。
• Novel Polymyxin-Inspired Peptidomimetics Targeting the SARS-CoV-2 Spike:hACE2 Interface
  作者：Kelly Bugatti、Andrea Sartori、Lucia Battistini、Crescenzo Coppa、Emiel Vanhulle、Sam Noppen、Becky Provinciael、Lieve Naesens、Annelies Stevaert、Alessandro Contini、Kurt Vermeire、Franca Zanardi

  DOI：10.3390/ijms24108765

  日期：——

  Though the bulk of the COVID-19 pandemic is behind, the search for effective and safe anti-SARS-CoV-2 drugs continues to be relevant. A highly pursued approach for antiviral drug development involves targeting the viral spike (S) protein of SARS-CoV-2 to prevent its attachment to the cellular receptor ACE2. Here, we exploited the core structure of polymyxin B, a naturally occurring antibiotic, to design and synthesize unprecedented peptidomimetics (PMs), intended to target contemporarily two defined, non-overlapping regions of the S receptor-binding domain (RBD). Monomers 1, 2, and 8, and heterodimers 7 and 10 bound to the S-RBD with micromolar affinity in cell-free surface plasmon resonance assays (KD ranging from 2.31 μM to 2.78 μM for dimers and 8.56 μM to 10.12 μM for monomers). Although the PMs were not able to fully protect cell cultures from infection with authentic live SARS-CoV-2, dimer 10 exerted a minimal but detectable inhibition of SARS-CoV-2 entry in U87.ACE2+ and A549.ACE2.TMPRSS2+ cells. These results validated a previous modeling study and provided the first proof-of-feasibility of using medium-sized heterodimeric PMs for targeting the S-RBD. Thus, heterodimers 7 and 10 may serve as a lead for the development of optimized compounds, which are structurally related to polymyxin, with improved S-RBD affinity and anti-SARS-CoV-2 potential.

  尽管 COVID-19 的大流行已经过去，但寻找有效、安全的抗 SARS-CoV-2 药物的工作仍在继续。一种备受追捧的抗病毒药物开发方法是以 SARS-CoV-2 的病毒尖峰（S）蛋白为靶点，阻止其附着到细胞受体 ACE2 上。在这里，我们利用多粘菌素 B（一种天然抗生素）的核心结构，设计并合成了前所未有的多肽模拟物（PMs），旨在同时靶向 S 受体结合域（RBD）的两个确定的非重叠区域。在无细胞表面等离子体共振试验中，单体 1、2 和 8 以及异质二聚体 7 和 10 与 S-RBD 的结合亲和力达到微摩尔级（二聚体的 KD 为 2.31 μM 至 2.78 μM，单体的 KD 为 8.56 μM 至 10.12 μM）。虽然 PMs 无法完全保护细胞培养物免受真实活 SARS-CoV-2 的感染，但二聚体 10 在 U87.ACE2+ 和 A549.ACE2.TMPRSS2+ 细胞中对 SARS-CoV-2 的进入具有最小但可检测到的抑制作用。这些结果验证了先前的建模研究，并首次证明了使用中等大小的异源二聚体来靶向 S-RBD 的可行性。因此，杂二聚体 7 和 10 可作为开发优化化合物的先导，这些化合物在结构上与多粘菌素相关，具有更好的 S-RBD 亲和力和抗 SARS-CoV-2 的潜力。
• Backbone cyclic helix mimetic of chemokine (C–C motif) receptor 2: A rational approach for inhibiting dimerization of G protein-coupled receptors
  作者：Mattan Hurevich、Maya Ratner-Hurevich、Yftah Tal-Gan、Deborah E. Shalev、Shlomo Z. Ben-Sasson、Chaim Gilon

  DOI：10.1016/j.bmc.2013.03.019

  日期：2013.7

  The transmembrane helical bundle of G protein-coupled receptors (GPCRs) dimerize through helix-helix interactions in response to inflammatory stimulation. A strategy was developed to target the helical dimerization site of GPCRs by peptidomimetics with drug like properties. The concept was demonstrated by selecting a potent backbone cyclic helix mimetic from a library that derived from the dimerization region of chemokine (C-C motif) receptor 2 (CCR2) that is a key player in Multiple Sclerosis. We showed that CCR2 based backbone cyclic peptide having a stable helix structure inhibits specific CCR2-mediated chemotactic migration (C) 2013 Elsevier Ltd. All rights reserved.