N-(苄氧羰基)-1,4-丁二胺 | 62146-62-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(苄氧羰基)-1,4-丁二胺
• 中文别名: 4-氨基丁基氨基甲酸苄酯
• 英文名称: (4-aminobutyl)carbamic acid benzyl ester
• 英文别名: Benzyl N-(4-aminobutyl)carbamate
• CAS: 62146-62-7
• 化学式: C₁₂H₁₈N₂O₂
• 分子量: 222.287
• InChiKey: IZGKHHFFYLRBPL-UHFFFAOYSA-N

物化性质

• 密度：
  1.088

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  N-(苄氧羰基)-1,4-丁二胺 在 sodium hydroxide 、 碳酸氢钠 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 97.0h， 生成
  参考文献：
  名称：

  Probing the functional requirements of the l-haba side-chain of amikacin—synthesis, 16S A-site rRNA binding, and antibacterial activity

  摘要：

  The 1-amino group in amikacin was acylated with a variety of 2-hydroxy aminocarboxylic acids to probe the effect of acylation on ribosomal binding and antibacterial activity. The N-hydroxy urea analogue of amikacin (8a) in which the 2-S-hydroxyl-bearing carbon was replaced by an N-OH group was equally active against S. aureus and E. coli in vitro. The analogous tobramycin variant 9 was more active than amikacin. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)01625-3
• 作为产物：
  描述：

  二氯二苯甲烷 在 lithium hydroxide monohydrate 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 32.75h， 生成 N-(苄氧羰基)-1,4-丁二胺
  参考文献：
  名称：

  Platform to Discover Protease-Activated Antibiotics and Application to Siderophore–Antibiotic Conjugates

  摘要：

  Here we present a platform for discovery of protease-activated prodrugs and apply it to antibiotics that target Gram-negative bacteria. Because cleavable linkers for prodrugs had not been developed for bacterial proteases, we used substrate phage to discover substrates for proteases found in the bacterial periplasm. Rather than focusing on a single protease, we used a periplasmic extract of E. coli to find sequences with the greatest susceptibility to the endogenous mixture of periplasmic proteases. Using a fluorescence assay, candidate sequences were evaluated to identify substrates that release native amine-containing payloads. We next designed conjugates consisting of (1) an N-terminal siderophore to facilitate uptake, (2) a protease-cleavable linker, and (3) an amine-containing antibiotic. Using this strategy, we converted daptomycin-which by itself is active only against Gram-positive bacteria-into an antibiotic capable of targeting Gram-negative Acinetobacter species. We similarly demonstrated siderophore-facilitated delivery of oxazolidinone and macrolide antibiotics into a number of Gram-negative species. These results illustrate this platform's utility for development of protease-activated prodrugs, including Trojan horse antibiotics.

  DOI：

  10.1021/jacs.0c06987

文献信息

• [EN] COMBINATIONS AND DOSING REGIMES TO TREAT RB-POSITIVE TUMORS<br/>[FR] COMBINAISONS ET RÉGIMES POSOLOGIQUES POUR TRAITER DES TUMEURS RB-POSITIVES
  申请人：G1 THERAPEUTICS INC

  公开号：WO2016040858A1

  公开（公告）日：2016-03-17

  This invention directed to methods for treating select RB-positive cancers and other Rb- positive abnormal cellular proliferative disorders using CDK4/6 inhibitors in specific dosing and combination or alternation regimes. In one aspect, treatments of select RB-positive cancers are disclosed using specific CDK4/6 inhibitors in combination or alternation with another chemotherapeutic, for example, an additional kinase inhibitor, PD-1 inhibitor, or BCL-2 inhibitor, or combination thereof.

  这项发明涉及使用特定剂量和组合或交替方案中的CDK4/6抑制剂治疗选择性RB阳性癌症和其他RB阳性异常细胞增殖紊乱疾病的方法。在一个方面，揭示了使用特定CDK4/6抑制剂与另一种化疗药物（例如，额外的激酶抑制剂、PD-1抑制剂或BCL-2抑制剂，或其组合）组合或交替治疗选择性RB阳性癌症。
• Rotaxane-based molecular switch with fluorescence signaling
  作者：Sung Im Jun、Jae Wook Lee、Shigeru Sakamoto、Kentaro Yamaguchi、Kimoon Kim

  DOI：10.1016/s0040-4039(99)02094-8

  日期：2000.1

  A pseudorotaxane containing cucurbituril (as a molecular ‘bead’) threaded on fluorenyltriamine (as a ‘string’) behaves as a fluorescent, reversible molecular switch. The switching of the molecular bead from one site to the other site on the ‘string’ induced by pH change is easily detected by change in color and fluorescence.

  含丝氨酸的拟轮烷（以分子“珠”的形式）串连在芴基三胺上（以“串”的形式）表现为荧光的，可逆的分子开关。通过颜色和荧光的变化，很容易检测到分子珠在pH值变化引起的“字符串”上从一个位置切换到另一个位置。
• From Inhibition to Degradation: Targeting the Antiapoptotic Protein Myeloid Cell Leukemia 1 (MCL1)
  作者：James W. Papatzimas、Evgueni Gorobets、Ranjan Maity、Mir Ishruna Muniyat、Justin L. MacCallum、Paola Neri、Nizar J. Bahlis、Darren J. Derksen

  DOI：10.1021/acs.jmedchem.9b00455

  日期：2019.6.13

  interactions (PPIs) have emerged as significant targets for therapeutic development, owing to their critical nature in diverse biological processes. An ideal PPI-based target is the protein myeloid cell leukemia 1 (MCL1), a critical prosurvival factor in cancers such as multiple myeloma where MCL1 levels directly correlate to disease progression. Current strategies for halting the antiapoptotic properties

  由于蛋白质-蛋白质相互作用（PPI）在多种生物学过程中的关键性质，它们已成为治疗发展的重要目标。理想的基于PPI的靶标是蛋白质髓样细胞白血病1（MCL1），它是癌症（例如多发性骨髓瘤）中的关键生存因子，其中MCL1水平直接与疾病进展相关。停止MCL1抗凋亡特性的当前策略围绕抑制其螯合促凋亡因子而展开。现有的抑制剂会破坏内源性调节蛋白。但是，这种策略实际上导致MCL1蛋白水平的提高。在这里，我们展示了能够使用成功靶向降解的蛋白水解靶向嵌合体（PROTAC）方法选择性靶向MCL1的异双功能小分子的发展。
• Heterocyclic thrombin inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US05583146A1

  公开（公告）日：1996-12-10

  Heterocyclic thrombin inhibitors are provided which have the structure ##STR1## wherein n, R, R.sup.1, R.sup.2, R.sup.3, G, G.sub.x, R.sup.6', Ra, Xa, R.sup.6, Rb, R.sub.3, p, Q, A and R.sup.4 are as defined herein.

  提供了具有结构##STR1##的杂环凝血酶抑制剂，其中n、R、R.sup.1、R.sup.2、R.sup.3、G、G.sub.x、R.sup.6'、Ra、Xa、R.sup.6、Rb、R.sub.3、p、Q、A和R.sup.4的定义如本文所述。
• [EN] ANTIBACTERIAL SIDEROMYCINS<br/>[FR] SIDÉROMYCINES ANTIBACTÉRIENNES
  申请人：MILLER MARVIN J

  公开号：WO2016027262A1

  公开（公告）日：2016-02-25

  A compound, comprising: an Fe(III)-binding and/or Fe(III)-bound siderophore; one or more optional linker covalently bound to the siderophore; and daptomycin covalently bound to the linker, or, if no linker is present, then to the siderophore; or pharmaceutically acceptable salt or solvate thereof.

  一种化合物，包括：与Fe(III)结合和/或Fe(III)结合的铁载体；一个或多个可选的与铁载体共价结合的连接剂；以及共价结合到连接剂的达托霉素，或者如果没有连接剂存在，则共价结合到铁载体；或其药用可接受的盐或溶剂。