(2-methoxy-benzyl)-urea | 99362-55-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (2-methoxy-benzyl)-urea
• 英文别名: (2-Methoxy-benzyl)-harnstoff；N-(2-methoxybenzyl) urea；[(2-Methoxyphenyl)methyl]urea；(2-methoxyphenyl)methylurea
• CAS: 99362-55-7
• 化学式: C₉H₁₂N₂O₂
• mdl: MFCD01314650
• 分子量: 180.206
• InChiKey: BKNUTQQQAPBRAR-UHFFFAOYSA-N

物化性质

• 熔点：
  192 °C
• 沸点：
  314.1±34.0 °C(Predicted)
• 密度：
  1.156±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2-methoxy-benzyl)-urea 在 氢氧化钾 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 11.0h， 生成 Ethyl 1-(2-methoxylbenzyl)-2,4,5-trioxoimidazolidine-3-acetate
  参考文献：
  名称：

  Highly Selective Aldose Reductase Inhibitors. 1. 3-(Arylalkyl)-2,4,5-trioxoimidazolidine-1-acetic Acids

  摘要：

  A series of 3-(arylalkyl)-2,4,5-trioxoimidazolidine-1-acids (1) was prepared and tested for aldose reductase (AR) and aldehyde reductase (ALR) inhibitory activities. These compounds showed strong inhibitory activity against AR without significant inhibitory activity for ALR. The ratio of IC50(ALR)/IC50(AR) was > 1000 in some compouds. On the basis of pharmacological tests such as the recovery of reduced motor nerve conduction velocity and toxicological profile, 3-(3-nitrobenzyl)-2,4,5-trioxoimidazolidine-1-acid (NZ-314) was selected as the candidate for clinical development.

  DOI：

  10.1021/jm9508393
• 作为产物：
  描述：

  邻甲氧基苄胺 在 硫酸 作用下， 以 水 为溶剂， 以94%的产率得到(2-methoxy-benzyl)-urea
  参考文献：
  名称：

  Pyridopyrimidine derivatives, their production and use

  摘要：

  该公式中的吡啶吡嗪衍生物（A），其中n表示0到3的整数，Q代表--(CH.sub.2).sub.m --，--O--，--S(O).sub.P --或--N--，R.sup.1到R.sup.5代表取代基，其中R.sup.3是可选择取代的苯基、萘基、吡啶基、喹啉基、喹啉基或噻吩基；或其盐。描述了该衍生物的制备和用途，作为内皮素受体拮抗剂。包括该衍生物的内皮素受体拮抗剂作为急性肾功能不全、心肌梗死、高血压、脑梗死、心绞痛、动脉硬化、肝病、肺动脉高压、支气管哮喘、器官移植手术中发生的器官功能减退的治疗组合物。

  公开号：

  US05654309A1

文献信息

• Microwave-Assisted Synthesis of N-Monosubstituted Urea Derivatives
  作者：Lidia De Luca、Andrea Porcheddu、Giampaolo Giacomelli、Irene Murgia

  DOI：10.1055/s-0030-1258553

  日期：2010.10

  An easy and rapid procedure for the preparation of N-monosubstituted ureas via reaction between potassium cyanate and a wide range of amines is described. The procedure was performed under microwave irradiation using water as solvent. This methodology is particularly attractive since it provides ureas in high yield and purity.

  描述了一种通过氰酸钾和多种胺之间的反应制备 N-单取代脲的简单快速的方法。该程序在微波辐射下使用水作为溶剂进行。这种方法特别有吸引力，因为它提供了高产率和纯度的尿素。
• IDO Inhibitors
  申请人：Mautino Mario

  公开号：US20110053941A1

  公开（公告）日：2011-03-03

  Presently provided are methods for (a) modulating an activity of indoleamine 2,3-dioxygenase comprising contacting an indoleamine 2,3-dioxygenase with a modulation effective amount of a compound as described in one of the aspects described herein; (b) treating indoleamine 2,3-dioxygenase (IDO) mediated immunosuppression in a subject in need thereof, comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; (c) treating a medical conditions that benefit from the inhibition of enzymatic activity of indoleamine-2,3-dioxygenase comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; (d) enhancing the effectiveness of an anti-cancer treatment comprising administering an anti-cancer agent and a compound as described in one of the aspects described herein; (e) treating tumor-specific immunosuppression associated with cancer comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; and (f) treating immunosuppression associated with an infectious disease, e.g., HIV-I infection, comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount a compound as described in one of the aspects described herein.

  目前提供以下方法：(a) 通过接触本文中描述的化合物的调节有效量与吲哚胺2,3-二氧化酶相互作用，从而调节吲哚胺2,3-二氧化酶的活性；(b) 治疗需要吲哚胺2,3-二氧化酶(IDO)介导的免疫抑制的患者，包括给予本文中描述的化合物的有效吲哚胺2,3-二氧化酶抑制剂量；(c) 治疗需要抑制吲哚胺-2,3-二氧化酶酶活性的医疗状况，包括给予本文中描述的化合物的有效吲哚胺2,3-二氧化酶抑制剂量；(d) 增强抗癌治疗的有效性，包括给予抗癌剂和本文中描述的化合物；(e) 治疗与癌症相关的肿瘤特异性免疫抑制，包括给予本文中描述的化合物的有效吲哚胺2,3-二氧化酶抑制剂量；(f) 治疗与传染病相关的免疫抑制，例如HIV-1感染，包括给予本文中描述的化合物的有效吲哚胺2,3-二氧化酶抑制剂量。
• Composition for dyeing human hair
  申请人：KPSS-Kao Professional Salon Services GmbH

  公开号：EP1454615A1

  公开（公告）日：2004-09-08

  This invention relates to a hair dyeing composition showing excellent dyeing ability comprising at least one direct acting hair dye and N-(2-methoxybenzyl) urea. The direct acting hair dyes are preferably selected from anionic, acidic dyestuffs. In addition to N-(2-methoxybenzyl) urea, compositions further comprise organic solvents and/or benzyl urea and/or benzyl carbamate as penetration enhancers. Compositions according to the invention has a pH in the range from 1 to 5 and preferably comprises polymeric thickening agents, organic and/or inorganic acids and conditioning agents.

  本发明涉及一种染色能力极佳的染发组合物，它包含至少一种直接作用染发剂和 N-（2-甲氧基苄基）脲。直接作用染发剂最好选自阴离子酸性染料。除 N-（2-甲氧基苄基）脲外，组合物还包括有机溶剂和/或作为渗透促进剂的苄基脲和/或氨基甲酸苄酯。根据本发明，组合物的 pH 值在 1 至 5 之间，最好含有聚合物增稠剂、有机酸和/或无机 酸以及调理剂。
• Trivedi; Trivedi, Journal of the Indian Chemical Society, 1958, vol. 35, p. 657,658
  作者：Trivedi、Trivedi

  DOI：——

  日期：——
• Goldschmidt; Ernst, Chemische Berichte, 1890, vol. 23, p. 2742,2744
  作者：Goldschmidt、Ernst

  DOI：——

  日期：——