| 312760-07-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 312760-07-9
• 化学式: C₁₄H₂₃N₃O₄
• 分子量: 297.35
• InChiKey: KAWJOFVUDUOOPJ-UHFFFAOYSA-N

物化性质

• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  89
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6,6'-diazido-6,6'-dideoxysucrose 、 在 copper diacetate 、 sodium ascorbate 作用下， 以 水 、 叔丁醇 为溶剂， 以100%的产率得到tert-butyl {(1E)-{[(1-{[(2R,3S,4S,5R,6R)-6-{[(2S,3S,4S,5R)-5-[(4-{[N',N''-bis(tert-butoxycarbonyl)carbamimidamido]methyl}-1H-1,2,3-triazol-1-yl)methyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-2-yl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]amino}[(tert-butoxycarbonyl)amino]methylidene}carbamate
  参考文献：
  名称：

  CuAAC-mediated diversification of aminoglycoside–arginine conjugate mimics by non-reducing di- and trisaccharides

  摘要：

  Di- and triguanidinylation of trehalose, sucrose, and melizitose has been achieved via a Huisgen-cycloaddition approach. They can serve as aminoglycoside-arginine conjugate mimics, which has been demonstrated by their biological profiles in assays against Bacillus subtilis. For comparative studies, tetraguanidinylated neamine and kanamycin derivatives have also been synthesized and evaluated. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2013.02.003

文献信息

• Synthesis and biological evaluation of a triazole-based library of pyrido[2,3-d]pyrimidines as FGFR3 tyrosine kinase inhibitors
  作者：Laurent Le Corre、Anne-Lise Girard、Johannes Aubertin、François Radvanyi、Catherine Benoist-Lasselin、Aurélie Jonquoy、Emilie Mugniery、Laurence Legeai-Mallet、Patricia Busca、Yves Le Merrer

  DOI：10.1039/b923882d

  日期：——

  A library of pyrido[2,3-d]pyrimidines was designed as inhibitors of FGFR3 tyrosine kinase allowing possible interactions with an unexploited region of the ATP binding-site. This library was built-up with an efficient step of click-chemistry giving easy access to triazole-based compounds bearing a large panel of substituents. Among the 27 analogues synthesized, more than half exhibited 55–89% inhibition of in vitro FGFR3 kinase activity at 2 μM and one (19g) was able to inhibit auto-phosphorylation of mutant FGFR3-K650M in transfected HEK cells.

  设计了一系列吡啶并[2,3-d]嘧啶类化合物作为FGFR3酪氨酸激酶的抑制剂，这些化合物可能与ATP结合位点的一个未开发区域发生相互作用。该化合物库通过高效的点击化学步骤构建，便于合成含有多种取代基的三唑类化合物。在合成的27个类似物中，超过一半的化合物在2微摩尔浓度下对体外FGFR3激酶活性表现出55-89%的抑制作用，其中一个化合物（19g）能够抑制转染HEK细胞中突变型FGFR3-K650M的自磷酸化。
• [EN] 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS<br/>[FR] INHIBITEURS PEPTIDOMIMÉTIQUES DE L'INTÉGRINE À BASE DE 1,2,3 TRIAZOLE POUR LE DIAGNOSTIC ET LE TRAITEMENT DE TUMEURS
  申请人：UNIV FIRENZE

  公开号：WO2011098603A1

  公开（公告）日：2011-08-18

  The present invention refers to the field of chemical compounds bearing a 1,2,3-triazole ring of formula (I) and possessing guanidino and carboxylic groups or their isosteres, their preparation by Cu-catalyzed "click-chemistry", and medical - diagnostic use in pathologies where angiogenesis is altered, for example pathologic conditions of tumor origin, tumor metastasis, osteoporosis, and rheumatoid arthritis.

  本发明涉及具有1,2,3-三唑环的化合物领域，其化学式为(I)，并具有胍基和羧基或其同系物，通过Cu催化的“点击化学”制备，用于在血管生成受损的病理情况中的医疗诊断用途，例如肿瘤来源的病理条件、肿瘤转移、骨质疏松症和类风湿性关节炎。
• 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS
  申请人：Guarna Antonio

  公开号：US20130040964A1

  公开（公告）日：2013-02-14

  The present invention refers to the field of chemical compounds bearing a 1,2,3-triazole ring of formula (I) and possessing guanidino and carboxylic groups or their isosteres, their preparation by Cu-catalyzed “click-chemistry”, and medical-diagnostic use in pathologies where angiogenesis is altered, for example pathologic conditions of tumor origin, tumor metastasis, osteoporosis, and rheumatoid arthritis.

  本发明涉及具有化学化合物的领域，其具有1,2,3-三唑环的结构（I）并且具有胍基和羧基或其同分异构体，通过铜催化的“点击化学”方法制备这些化合物，并在血管生成异常的病理学中进行医学诊断使用，例如肿瘤起源的病理性状况、肿瘤转移、骨质疏松症和类风湿性关节炎。
• Photoreactive Molecular Glue for Enhancing the Efficacy of DNA Aptamers by Temporary-to-Permanent Conjugation with Target Proteins
  作者：Ai Kohata、Ryosuke Ueki、Kou Okuro、P. K. Hashim、Shinsuke Sando、Takuzo Aida

  DOI：10.1021/jacs.1c06816

  日期：2021.9.1

  We developed a photoreactive molecular glue, BPGlue-N3, which can provide a universal strategy to enhance the efficacy of DNA aptamers by temporary-to-permanent stepwise stabilization of their conjugates with target proteins. As a proof-of-concept study, we applied BPGlue-N3 to the SL1 (DNA aptamer)/c-Met (target protein) conjugate system. BPGlue-N3 can adhere to and temporarily stabilize this aptamer/protein

  我们开发了一种光反应性分子胶BP Glue-N 3，它可以提供一种通用策略，通过暂时到永久逐步稳定其与靶蛋白的缀合物来增强 DNA 适体的功效。作为概念验证研究，我们将BP Glue-N 3应用于 SL1（DNA 适体）/c-Met（靶蛋白）缀合物系统。BP Glue-N 3可以使用其胍离子 (Gu + ) 侧基与氧阴离子部分（例如，羧酸根和磷酸根）和二苯甲酮 (BP) 基团形成盐桥，从而多价粘附并暂时稳定这种适体/蛋白质缀合物。对 DNA 双链体具有亲和力。英国石油公司Glue-N 3设计用于携带双模光反应性；暴露于紫外线后，暂时稳定的适体/蛋白质结合物与粘附的BP Glue-N 3的光激发 BP 单元以及可能由BP Glue-N 3中的 BP-to-N 3能量转移产生的氮烯物质反应. 我们证实，与 c-Met 共价结合的 SL1 阻碍了肝细胞生长因子 (HGF) 与 c-Met 的结合，即使在用
• [EN] ISOXAZOLE beta-LACTAMASE INHIBITORS<br/>[FR] INHIBITEURS DES Beta-LACTAMASES DÉRIVÉS D'ISOXAZOLE
  申请人：CUBIST PHARM INC

  公开号：WO2013149136A1

  公开（公告）日：2013-10-03

  β-Lactamase inhibitor compounds (BLIs) are disclosed, including compounds that have activity against class A, class C or class D β-lactamases. Methods of manufacturing the BLIs, and uses of the compounds in the preparation of pharmaceutical compositions and antibacterial applications are also disclosed.

  β-内酰胺酶抑制剂化合物（BLIs）被披露，包括对A类、C类或D类β-内酰胺酶具有活性的化合物。还披露了制造BLIs的方法，以及在制备药物组合物和抗菌应用中使用这些化合物的方法。