N-(2-溴乙基)氨基甲酸乙酯 | 7452-78-0

• 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
• 中文名称: N-(2-溴乙基)氨基甲酸乙酯
• 英文名称: ethyl (2-bromoethyl)carbamate
• 英文别名: ethyl N-(2-bromoethyl)carbamate
• CAS: 7452-78-0
• 化学式: C₅H₁₀BrNO₂
• 分子量: 196.044
• InChiKey: BESCFIAGVMCBAI-UHFFFAOYSA-N

物化性质

• 沸点：
  118 °C(Press: 3 Torr)
• 密度：
  1.412 g/cm3(Temp: 25 °C)
• 溶解度：
  可溶于氯仿、二氯甲烷、乙醚

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(2-溴乙基)氨基甲酸乙酯 在 盐酸 、 溶剂黄146 、 N,N-二异丙基乙胺 、 锌 、 sodium nitrite 作用下， 以 水 、 甲苯 为溶剂， 反应 27.0h， 生成 ethyl N-[2-(N-amino-3-methylanilino)ethyl]carbamate
  参考文献：
  名称：

  5-Lipoxygenase Inhibitors:  Synthesis and Structure−Activity Relationships of a Series of 1-Aryl-2H,4H-tetrahydro-1,2,4-triazin-3-ones

  摘要：

  Synthetic routes were developed to access a variety of novel 1-aryl-2H,4H-tetrahydro-1,2,4-triazin-3-one analogs which were evaluated as 5-lipoxygenase (5-LO) inhibitors. The parent structure, 1-phenylperhydro-1,2,4-triazin-3-one (4), was found to be a selective inhibitor of 5-LO in broken cell, intact cell, and human blood assays with IC50 values of 5-21 mu M. In a rat anaphylaxis model, 4 blocked leukotriene formation with an ED(50) = 7 mg/kg when administered orally. Compound 4 exhibited selectivity for inhibition of 5-LO with little activity against related enzymes: 12-LO from human platelets, 15-LO from soybean, and cyclooxygenase (COX) from sheep seminal vesicle. In pilot subacute toxicity testing, 4 did not produce methemoglobinemia in rats (400 mg/kg po daily for 9 days) or in dogs (200 mg/kg po daily for 28 days). These results indicated that the triazinone structure provided a 5-LO inhibitor template devoid of the toxicity problems observed in the related phenidone (1) and pyridazinone (3) classes of 5-LO inhibitors. The parent compound 4 is a selective, orally bioavailable 5-LO inhibitor which can serve as a useful reference standard for in vivo pharmacological studies involving leukotriene-mediated phenonmena.

  DOI：

  10.1021/jm960372b
• 作为产物：
  描述：

  吖丙啶基 甲酸乙酯 在 氢溴酸 作用下， 生成 N-(2-溴乙基)氨基甲酸乙酯
  参考文献：
  名称：

  Kamiya,S., Chemical and pharmaceutical bulletin, 1972, vol. 20, p. 2497 - 2500

  摘要：

  DOI：

文献信息

• [EN] HAPTENS OF RISPERIDONE AND PALIPERIDONE<br/>[FR] HAPTÈNES DE RISPÉRIDONE ET DE PALIPÉRIDONE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2014031601A1

  公开（公告）日：2014-02-27

  The invention relates to compounds of Formula (I), wherein R1 and R2 are defined in the specification, useful for the synthesis of novel conjugates and imrnunogens derived from risperidone and paliperidone. The invention also relates to conjugates of a risperidone or paliperidone hapten and a protein.

  本发明涉及式I化合物，其中R1和R2在说明书中定义，可用于合成源自利培酮和帕利哌酮的新型缀合物和免疫原。本发明还涉及利培酮或帕利哌酮半抗原与蛋白质的缀合物。
• Antibodies to risperidone haptens and use thereof
  申请人：Janssen Pharmaceutica NV

  公开号：US09751953B2

  公开（公告）日：2017-09-05

  Disclosed is an antibody which binds to risperidone, which can be used to detect risperidone in a sample such as in a competitive immunoassay method. The antibody can be used in a lateral flow assay device for point-of-care detection of risperidone, including multiplex detection of aripiprazole, olanzapine, quetiapine, and risperidone in a single lateral flow assay device.

  披露了一种与利培酮结合的抗体，可用于在样本中检测利培酮，例如在竞争性免疫分析方法中。该抗体可用于侧向流动测定装置，用于在点对点的检测中检测利培酮，包括在单个侧向流动测定装置中多重检测阿立哌唑、奥兰匹克、喹硫平和利培酮。
• Antibodies to Risperidone Haptens and Use Thereof
  申请人：Janssen Pharmaceutica NV

  公开号：US20140057301A1

  公开（公告）日：2014-02-27

  Disclosed is an antibody which binds to risperidone, which can be used to detect risperidone in a sample such as in a competitive immunoassay method. The antibody can be used in a lateral flow assay device for point-of-care detection of risperidone, including multiplex detection of aripiprazole, olanzapine, quetiapine, and risperidone in a single lateral flow assay device.

  揭示了一种与利培酮结合的抗体，可用于在样本中检测利培酮，例如在竞争性免疫分析方法中。该抗体可用于侧向流动检测装置中，用于快速检测利培酮，包括在单个侧向流动检测装置中多重检测阿立哌唑、奥氮平、喹硫平和利培酮。
• Intramolecular cyclization with iminium ions synthesis of 1,4-diazabicyclo[4.3.1]decene derivatives
  作者：Emese Csuzdi、István Pallagi、Sándor Sólyom

  DOI：10.1016/s0040-4039(00)79346-4

  日期：1993.7

  Intramolecular cyclization reactions between iminium ion and conjugated double bond as a nucleophilic terminator producing 1.4-diazacyclo[4.3.1]decene derivatives were observed.

  观察到亚胺离子和共轭双键作为亲核终止剂产生1.4-二氮杂环[4.3.1]癸烯衍生物的分子内环化反应。
• Synthesis of Juvenile Hormone Bioanalogs Derived from 2-(4-Hydroxybenzyl)-6-methylcyclohexanone
  作者：Martin Rejzek、Marie Zarevúcka、Zdeněk Wimmer、Tomáš Vaněk、Richard Tykva、Jelena Kuldová、David Šaman、Blanka Bennettová

  DOI：10.1135/cccc19960605

  日期：——

  A new simple approach to isomeric 2-(4-alkoxybenzyl)-6-methylcyclohexanones and the corresponding alcohols and a subsequent synthesis of compounds imitating the action of the insect juvenile hormones is described. Biological activity of the isomeric juvenile hormone bioanalogs differed considerably when tested on the flesh fly (Sarcophaga bullata) and the yellow mealworm (Tenebrio molitor).

  描述了一种新的简单方法，用于合成同分异构体2-(4-烷氧基苄基)-6-甲基环己酮及其对应的醇类化合物，并进一步合成模拟昆虫幼虫激素作用的化合物。在肉蝇（Sarcophaga bullata）和黄粉虫（Tenebrio molitor）上测试时，同分异构体幼虫激素类生物类似物的生物活性差异显著。