di-tert-butyl (4-amino-4-(3-((tert-butoxycarbonyl)amino)propyl)heptane-1,7-diyl)dicarbamate | 155021-56-0

• 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
• 英文名称: di-tert-butyl (4-amino-4-(3-((tert-butoxycarbonyl)amino)propyl)heptane-1,7-diyl)dicarbamate
• 英文别名: tris[3-(N-tert-butoxycarbonylamino)propyl]methylamine；tris(3-tert-butoxycarbonylaminoprop-1-yl)aminomethane；tris(3-tert-butoxycarbonylaminopropyl)aminomethane；Di-tert-butyl (4-amino-4-{3-[(tert-butoxycarbonyl)amino]propyl}heptane-1,7-diyl)biscarbamate；tert-butyl N-[4-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]heptyl]carbamate
• CAS: 155021-56-0
• 化学式: C₂₅H₅₀N₄O₆
• 分子量: 502.695
• InChiKey: SAGRBEMCYJEDJK-UHFFFAOYSA-N

物化性质

• 沸点：
  630.9±55.0 °C(Predicted)
• 密度：
  1.042±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  35
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  141
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  di-tert-butyl (4-amino-4-(3-((tert-butoxycarbonyl)amino)propyl)heptane-1,7-diyl)dicarbamate 在 盐酸 、 N-羟基丁二酰亚胺 、 甲酸 、 5%-palladium/activated carbon 、 水 、 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、206.85 kPa 条件下， 反应 80.0h， 生成 N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]-7-[(1-ethyl-3-hydroxy-4-oxopyridine-2-carbonyl)amino]-4-[3-[(1-ethyl-3-hydroxy-4-oxopyridine-2-carbonyl)amino]propyl]heptyl]-1-ethyl-3-hydroxy-4-oxopyridine-2-carboxamide
  参考文献：
  名称：

  Design, Synthesis, and Antimicrobial Evaluation of Hexadentate Hydroxypyridinones with High Iron(III) Affinity

  摘要：

  A range of hexadentate 3‐hydroxypyridin‐4‐ones (HPOs) with high affinity for iron(III) has been synthesized. The log stability constants of two HPO–iron complexes (logK1) were determined to be over 34, and pFe values of the two HPOs were determined to be over 31. Antimicrobial assay indicated that they are able to markedly inhibit the growth of both Gram‐positive and Gram‐negative bacteria. Compounds 14a and 14e were found to exhibit the strongest inhibitory activity against Staphyloccocus aureus, Bacillus subtilis, Pseudomonas aeruginosa, and Escherichia coli, with MIC values of 8, 8, 16, and 8 μg/mL, respectively. These results indicate that hexadentate 3‐hydroxypyridin‐4‐ones have potential application as antimicrobial agents, especially in the treatment of wound infection.

  DOI：

  10.1111/cbdd.12358
• 作为产物：
  描述：

  三(2-氰乙基)硝基甲烷 在 sodium tetrahydroborate 、 硼烷四氢呋喃络合物 、 三乙胺 、 nickel dichloride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 28.0h， 生成 di-tert-butyl (4-amino-4-(3-((tert-butoxycarbonyl)amino)propyl)heptane-1,7-diyl)dicarbamate
  参考文献：
  名称：

  用于选择性结合 Neu5Ac 的水溶性 Pd2L4 笼

  摘要：

  唾液酸N-乙酰神经氨酸 (Neu5Ac) 及其衍生物参与许多生物过程，包括细胞间识别和流感感染。因此，可以利用能够识别 Neu5Ac 的分子来干预或监测此类事件。这一发展的一个主要障碍是在其天然溶剂中与这种碳水化合物结合的易于制备的分子的稀缺性。水。在这里，我们报道有机可溶性[Pd 2 L 4 ] 4+笼的碳水化合物结合口袋可以配备胍基末端树枝，以得到水溶性[Pd 2 L 4 ][NO 3 ] 16笼7 。 NMR光谱表明7选择性地与阴离子单糖结合，并且与K a =24 M -1的Neu5Ac结合最强。该笼对所研究的十三种中性糖类具有低亲和力或无亲和力。在分子建模的帮助下，阴离子碳水化合物（例如 Neu5Ac）的选择性可以通过电荷辅助氢键的存在和/或具有7的胍盐增溶臂的盐桥的存在来合理化。确定简单的配位笼（例如7）已经可以选择性地与水中的 Neu5Ac 结合，为提高 M 2 L 4笼对碳水

  DOI：

  10.1002/chem.202102176

文献信息

• [EN] CHELATORS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI)<br/>[FR] CHÉLATEURS, CHÉLATES PARAMAGNÉTIQUES DE CEUX-CI ET LEUR UTILISATION EN TANT QU'AGENTS DE CONTRASTE DANS L'IMAGERIE PAR RÉSONANCE MAGNÉTIQUE (IRM)
  申请人：GE HEALTHCARE AS

  公开号：WO2009021947A1

  公开（公告）日：2009-02-19

  The present invention relates to chelators, in particular to chelators which are capable of forming complexes, i.e. paramagnetic chelates, with paramagnetic metal ions. The invention also relates to said paramagnetic chelates, said paramagnetic chelates linked to other molecules and their use as contrast agents in magnetic resonance imaging (MRI).

  本发明涉及螯合剂，特别是能够与顺磁金属离子形成络合物，即顺磁螯合物的螯合剂。该发明还涉及所述的顺磁螯合物，将所述的顺磁螯合物连接到其他分子并将它们用作磁共振成像（MRI）中的对比剂。
• [EN] Trimaleimide Linkers and Uses Thereof<br/>[FR] LIEURS À BASE DE TRIMALÉIMIDE ET LEURS UTILISATION S
  申请人：NEWBIO THERAPEUTICS INC

  公开号：WO2016192528A1

  公开（公告）日：2016-12-08

  A type of trimaleimide linkers and uses thereof are disclosed. The trimaleimide linkers can be applied for preparation of antibody-drug conjugate as shown by formula I: L– (T–A–D) n Ⅰ wherein, L is an antibody, antibody fragment or protein; T is a trimaleimide linker; A is a cleavable linker group or a noncleavable linker; D is a drug; n is an integer ranging from 1 to 8.

  公开了一种三马来酰亚胺连接剂及其用途。该三马来酰亚胺连接剂可以用于制备抗体药物偶联物，如下所示的公式I：L– (T–A–D) n Ⅰ，其中，L为抗体、抗体片段或蛋白质；T为三马来酰亚胺连接剂；A为可切割连接剂基团或不可切割连接剂；D为药物；n为介于1到8之间的整数。
• [EN] FLUORESCENCE SPECTRAL SHAPE ANALYSIS FOR ANALYTE RECOGNITION<br/>[FR] ANALYSE DE FORME SPECTRALE DE FLUORESCENCE POUR LA RECONNAISSANCE D'ANALYTES
  申请人：HUANG YUN

  公开号：WO2019169169A1

  公开（公告）日：2019-09-06

  The inventors describe the use of a polymeric marker, in certain aspects the polymeric marker is conjugated polymeric marker such as P-C-3. Other aspects are directed to methods of analyzing the conjugated marker fluorescence spectral shape, which is strongly dependent on the local/ionic environment. This fluorescence marker is able to interact with and classify various analytes.

  发明者描述了使用聚合物标记物，其中某些方面的聚合物标记物是共轭聚合物标记物，如P-C-3。其他方面涉及分析共轭标记物荧光光谱形状的方法，该形状强烈依赖于局部/离子环境。这种荧光标记物能够与各种分析物相互作用并分类。
• ANTI-BACTERIAL SIDEROPHORE-AMINOPENICILLIN CONJUGATES
  申请人：UNIVERSITY OF NOTRE DAME DU LAC

  公开号：US20130281424A1

  公开（公告）日：2013-10-24

  An artificial tris-catecolate siderophore with a tripodal backbone and its conjugates with ampicillin and amoxicillin were synthesized. Both conjugates exhibited significantly enhanced in vitro antibacterial activities against Gram-negative species compared to the parent drugs, especially against P. aeruginosa . The conjugates appear to be assimilated by an induced bacterial iron transport process as their activities were inversely related to iron concentration. The easily synthesized tris-catecolate siderophores can be used with a variety of drugs as conjugates to target antibiotic-resistant Gram-negative bacteria.

  合成了一种具有三脚架骨架的人工三儿茶酚鞘铁素及其与氨苄青霉素和阿莫西林的结合物。与母药相比，这两种结合物在体外抗菌活性明显增强，特别是对铜绿假单胞菌的抗菌活性。这些结合物似乎通过诱导的细菌铁运输过程被同化，因为它们的活性与铁浓度呈负相关。易于合成的三儿茶酚鞘铁素可以与各种药物结合，以靶向抗生素耐药的革兰氏阴性细菌。
• Influence of the platform in multicoordinate ligands for actinide partitioning
  作者：Henk H. Dam、David N. Reinhoudt、Willem Verboom

  DOI：10.1039/b704667g

  日期：——

  Multicoordinate ligands based on the trityl, C-pivot, and CTV platforms and the ligating groups CMPO, DGA, PICO, and MPMA were synthesized and studied for their extraction properties. The extraction efficiencies of these multicoordinate ligands are largely influenced by the properties of the platform. The DAm values follow the order CTV6 > trityl ≈ C-pivot > CTV3 > CTV0 with a maximum for CTV6CMPO of DAm = 30 (SAm/Eu = 1.4, cL = 10–4 M, 3 M HNO3). There is a strong relationship between the DAm values, increasing in the order of CTV0CMPO < CTV3CMPO < CTV6CMPO, and the ‘mobility’ of their CMPO groups. The SAm/Eu values are less influenced by the platform and range between 0.2 and 2.0, though they can reverse under the influence of the HNO3 concentration (CTV6PICOSAm/Eu = 0.7 at 0.001 M HNO3 to 1.2 at 0.01 M HNO3) or by changing the platform (CTV(0, 3 or 6)MPMA from SAm/Eu = 0.4 to 1.6 for tritMPMA both at 0.001 M HNO3). For the CMPO derivatives the SAm/Eu values are most consistent, ranging from 1.4 to 1.8.

  研究人员合成了基于三苯甲基、C-枢轴和 CTV 平台以及连接基团 CMPO、DGA、PICO 和 MPMA 的多配位体，并对其萃取特性进行了研究。这些多配位体的萃取效率在很大程度上受平台性质的影响。DAm 值的顺序为 CTV6 > 三烷基 ≈ C-pivot > CTV3 > CTV0，其中 CTV6CMPO 的最大 DAm = 30（SAm/Eu = 1.4，cL = 10-4 M，3 M HNO3）。DAm 值按照 CTV0CMPO < CTV3CMPO < CTV6CMPO 的顺序递增，这与其 CMPO 基团的 "流动性 "之间有着密切的关系。SAm/Eu 值受平台的影响较小，介于 0.2 和 2.0 之间，但在 HNO3 浓度的影响下（CTV6PICOSAm/Eu = 0.7（0.001 M HNO3 时）至 1.2（0.01 M HNO3 时））或改变平台（CTV(0、3 或 6)MPMA 的 SAm/Eu = 0.4 至 1.6（tritMPMA，均为 0.001 M HNO3 时）），SAm/Eu 值会发生逆转。CMPO 衍生物的 SAm/Eu 值最为一致，从 1.4 到 1.8 不等。