tert-butyl (2-((2-bromoethyl)disulfanyl)ethyl)carbamate | 877864-09-0

• 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: tert-butyl (2-((2-bromoethyl)disulfanyl)ethyl)carbamate
• 英文别名: 2-Boc-aminoethyl 2'-bromoethyl disulfide；tert-butyl N-[2-(2-bromoethyldisulfanyl)ethyl]carbamate
• CAS: 877864-09-0
• 化学式: C₉H₁₈BrNO₂S₂
• 分子量: 316.283
• InChiKey: NTKJDAUVGDBHRL-UHFFFAOYSA-N

物化性质

• 沸点：
  381.4±27.0 °C(Predicted)
• 密度：
  1.371±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  88.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl (2-((2-bromoethyl)disulfanyl)ethyl)carbamate 在 silver nitrate 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以84%的产率得到tert-butyl (2-((2-(nitrooxy)ethyl)disulfanyl)ethyl)carbamate
  参考文献：
  名称：

  Prodrugs containing novel bio-cleavable linkers

  摘要：

  本发明提供了公式(I)的化合物或其药用可接受的盐。本发明还提供了包含一个或多个公式I的化合物或其中间体以及一个或多个药用可接受的载体、车辆或稀释剂的药物组合物。本发明进一步提供了包括制备方法和使用方法在内的前药，包括释放一氧化氮的前药、双前药和相互前药，由公式I的化合物组成。

  公开号：

  US20060046967A1
• 作为产物：
  描述：

  tert-butyl (2-((2-hydroxyethyl)disulfaneyl)ethyl)carbamate 在 三乙胺 、 lithium bromide 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 9.0h， 生成 tert-butyl (2-((2-bromoethyl)disulfanyl)ethyl)carbamate
  参考文献：
  名称：

  一种新型具有聚集诱导发光现象的荧光染料合成方法

  摘要：

  一种新型具有聚集诱导发光现象的荧光染料合成方法，涉及材料科学领域，所得荧光染料结构通式为以下中的一种：相较于传统的荧光染料，本发明中的新型染料，不仅可以解决高浓度下聚集诱导淬灭的问题，通过荧光分子的重新生成，对NO等连接到染料上的功能基团释放过程进行示踪监测，同时可依靠荧光分子在病灶部位产生的ROS，对癌症部位进行治疗，实现染料多功能化的目的。

  公开号：

  CN108558788A

文献信息

• PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS
  申请人：Satyam Apparao

  公开号：US20110269709A1

  公开（公告）日：2011-11-03

  The invention provides the compounds of formula (I) or pharmaceutically acceptable salts thereof. The invention also provides pharmaceutical compositions comprising one or more compounds of formula I or intermediates thereof and one more of pharmaceutically acceptable carriers, vehicles or diluents. The invention further provides methods of preparation and methods of use of prodrugs including NO-releasing prodrugs, double prodrugs and mutual prodrugs comprising the compounds of formula I.

  该发明提供式（I）的化合物或其药学上可接受的盐。该发明还提供包含一个或多个式I化合物或其中间体以及一个或多个药学上可接受的载体、车载物或稀释剂的制药组合物。该发明还提供制备方法和使用方法，其中包括释放NO的前药、双前药和相互前药的前药，其中包括式I的化合物。
• Prodrugs Containing Bio-Cleavable Linkers
  申请人：Piramal Life Sciences Limited

  公开号：EP2075011A2

  公开（公告）日：2009-07-01

  The invention provides the compounds of formula (I) or pharmaceutically acceptable salts thereof. The invention also provides pharmaceutical compositions comprising one or more compounds of formula I or intermediates thereof and one more of pharmaceutically acceptable carriers, vehicles or diluents. The invention further provides methods of preparation and methods of use of prodrugs including NO-releasing prodrugs, double prodrugs and mutual prodrugs comprising the compounds of formula I.

  本发明提供了式 (I) 化合物或其药学上可接受的盐。本发明还提供了包含一种或多种式 I 化合物或其中间体以及一种或多种药学上可接受的载体、载体或稀释剂的药物组合物。本发明进一步提供了包括NO释放原药、双原药和包含式I化合物的互作原药在内的原药的制备方法和使用方法。
• Prodrugs Containing Novel Bio-Cleavable Linkers
  申请人：Piramal Life Sciences Limited

  公开号：EP2266625A2

  公开（公告）日：2010-12-29

  The invention provides the compounds of formula (I) or pharmaceutically acceptable salts thereof. The invention also provides pharmaceutical compositions comprising one or more compounds of formula I or intermediates thereof and one more of pharmaceutically acceptable carriers, vehicles or diluents. The invention further provides methods of preparation and methods of use of prodrugs including NO-releasing prodrugs, double prodrugs and mutual prodrugs comprising the compounds of formula 1.

  本发明提供了式 (I) 化合物或其药学上可接受的盐。本发明还提供了包含一种或多种式 I 化合物或其中间体以及一种或多种药学上可接受的载体、载体或稀释剂的药物组合物。本发明进一步提供了包括NO释放原药、双原药和包含式1化合物的互作原药在内的原药的制备方法和使用方法。
• NO-NSAIDs: Gastric-sparing nitric oxide-releasable prodrugs of non-steroidal anti-inflammatory drugs
  作者：Kumar V.S. Nemmani、Sunil V. Mali、Namdev Borhade、Asif R. Pathan、Manoj Karwa、Venu Pamidiboina、S.P. Senthilkumar、Machhindra Gund、Arun K. Jain、Naveen K. Mangu、Nauzer P. Dubash、Dattatraya C. Desai、Somesh Sharma、Apparao Satyam

  DOI：10.1016/j.bmcl.2009.07.142

  日期：2009.9

  Recently, a new class of nitric-oxide-releasing non-steroidal anti-inflammatory drugs (NO-NSAIDs) is being studied as 'Safe NSAIDs' because of their gastric-sparing properties. As an extension of our novel disulfide linker technology, we have designed, synthesized and evaluated novel NO-releasing NSAID prodrugs such as NO-Aspirin (1b-d) and NO-Diclofenac (2b-c). Although the amide-containing derivative 1d did not show any bioavailability, the remaining compounds have shown fair to excellent pharmacokinetic. anti-inflammatory and gastric-sparing properties. Among them, however, the NO-Diclofenac (2b) has shown the most promising pharmacokinetic, anti-inflammatory and NO-releasing properties and protected rats from NSAID-induced gastric damage which could be attributable to the beneficial effects of NO released from these prodrugs. (C) 2009 Elsevier Ltd. All rights reserved.
• Amatoxin-Conjugates with Improved Linkers
  申请人：Anderl Jan

  公开号：US20130259880A1

  公开（公告）日：2013-10-03

  The invention relates to tumour therapy. In one aspect, the present invention relates to conjugates of an amatoxin and a target-binding moiety, e.g. an antibody, connected by a linker comprising a urea moiety, which are useful in the treatment of cancer. In a further aspect the invention relates to pharmaceutical compositions comprising such conjugates.