[2-amino-3-(benzyloxycarbonylamino)propyl]carbamic acid benzyl ester | 213475-65-1

• 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: [2-amino-3-(benzyloxycarbonylamino)propyl]carbamic acid benzyl ester
• 英文别名: benzyl N-[2-amino-3-(phenylmethoxycarbonylamino)propyl]carbamate
• CAS: 213475-65-1
• 化学式: C₁₉H₂₃N₃O₄
• 分子量: 357.409
• InChiKey: KXWHJSNUVHTDDR-UHFFFAOYSA-N

物化性质

• 沸点：
  584.6±50.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [2-amino-3-(benzyloxycarbonylamino)propyl]carbamic acid benzyl ester 在 sodium tetrahydroborate 、 sodium sulfate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 38.0h， 生成
  参考文献：
  名称：

  机械点手性轮烷的不对称催化

  摘要：

  [2] 轮烷中的机械点手性用于不对称催化。轮烷的稳定对映异构体源于线中间的庞大基团，防止苄基酰胺大环在前手性中心的不同侧之间穿梭，在仲胺基团附近产生点手性。由此产生的机械手化通过烯胺（高达 71:29 er）和亚胺（高达 68:32 er）激活模式提供对映选择性有机催化。

  DOI：

  10.1021/jacs.6b00303
• 作为产物：
  描述：

  methanesulfonic acid 2-benzyloxycarbonylamino-1-(benzyloxycarbonylaminomethyl)-ethyl ester 在 sodium azide 、 tin(ll) chloride 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成 [2-amino-3-(benzyloxycarbonylamino)propyl]carbamic acid benzyl ester
  参考文献：
  名称：

  Convenient and Simplified Approaches to N-Monoprotected Triaminopropane Derivatives: Key Intermediates for Bifunctional Chelating Agent Synthesis

  摘要：

  DOI：

  10.1055/s-1998-2128

文献信息

• POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF
  申请人：Glinka Tomasz

  公开号：US20100152098A1

  公开（公告）日：2010-06-17

  Disclosed are compounds having polybasic functionalities. The compounds inhibit bacterial efflux pump inhibitors and are used in combination with an anti-bacterial agent to treat or prevent bacterial infections. These combinations can be effective against bacterial infections that have developed resistance to anti-bacterial agents through an efflux pump mechanism.

  本发明涉及具有多元功能的化合物。这些化合物可以抑制细菌外排泵抑制剂，并与抗菌剂结合使用，以治疗或预防细菌感染。这些组合物可以有效地对抗通过外排泵机制对抗菌剂产生抗性的细菌感染。
• 2-[2-Substituted-3-(3,4-dichlorobenzylamino)propylamino]-1H-quinolin-4-ones as Staphylococcus aureus methionyl-tRNA synthetase inhibitors
  作者：Farhanullah、Taehee Kang、Eun-Jung Yoon、Eun-Chil Choi、Sunghoon Kim、Jeewoo Lee

  DOI：10.1016/j.ejmech.2008.02.021

  日期：2009.1

  New analogues of 2-[2-substituted-3-(3,4-dichlorobenzylamino)propylamino]quinolin-4-ones, 26a, 26b, 31a-e, 34, 35, 38 and 40, have been synthesized and evaluated against Staphylococcus aureus methionyl-tRNA synthetase. All of the synthesized compounds were less active than the reference compound 2. The compounds were also screened against various strains of S. aureus and Enterococci for their antibacterial activities. Among the compounds, 26b, 31c and 31e displayed significant inhibitory properties against various strains of Enterococci compared to compound 2. (C) 2008 Elsevier Masson SAS. All rights reserved.
• Tobramycin analogues with C-5 aminoalkyl ether chains intended to mimic rings III and IV of paromomycin
  作者：Stephen Hanessian、Martin Tremblay、Eric E Swayze

  DOI：10.1016/s0040-4020(02)01624-1

  日期：2003.2

  Based on available X-ray structural and modeling data, a series of tobramycin derivatives with C-5 ether chains bearing basic groups were synthesized. These were intended to be hybrid molecules that combine features of tobramycin and paromomycin. Their binding to ribosomes and their antibacterial activity were determined. The 5-O-(2-guanidylethyl) ether of tobramycin (9g) was the most active analogue in the series. (C) 2003 Elsevier Science Ltd. All rights reserved.
• US8178490B2
  申请人：——

  公开号：US8178490B2

  公开（公告）日：2012-05-15
• [EN] POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF<br/>[FR] INHIBITEURS POLYBASIQUES DE POMPE À EFFLUX BACTÉRIENNE ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：MPEX PHARMACEUTICALS INC

  公开号：WO2010054102A2

  公开（公告）日：2010-05-14

  Disclosed are compounds having polybasic functionalities. The compounds inhibit bacterial efflux pump inhibitors and are used in combination with an anti-bacterial agent to treat or prevent bacterial infections. These combinations can be effective against bacterial infections that have developed resistance to anti-bacterial agents through an efflux pump mechanism.