1-(2-溴苯基)-3-甲基脲 | 82745-13-9

• 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: 1-(2-溴苯基)-3-甲基脲
• 英文名称: 1-(2-Bromo-phenyl)-3-methyl-urea
• 英文别名: 1-(2-Bromophenyl)-3-methylurea
• CAS: 82745-13-9
• 化学式: C₈H₉BrN₂O
• 分子量: 229.076
• InChiKey: BBKCGIXOVZMZLD-UHFFFAOYSA-N

物化性质

• 沸点：
  280.9±32.0 °C(Predicted)
• 密度：
  1.552±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(2-溴苯基)-3-甲基脲 在 palladium on activated charcoal 盐酸 、 sodium hydroxide 、 氢气 、 乙酸酐 、 sodium nitrite 作用下， 以 甲醇 、 水 、 乙酸乙酯 为溶剂， 反应 13.0h， 生成 5,6-Diamino-1-(2-bromo-phenyl)-3-methyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Structure and activity relationships of novel uracil derivatives as topical anti-inflammatory agents

  摘要：

  In order to create novel, topical anti-inflammatory compounds exhibiting more potent activities than lead compound CX-659S (1), we designed and synthesized various derivatives of 1 focusing on the uracil N(l)- and N(3)-substituents, and evaluated their anti-inflammatory activities via inhibition of the picryl chloride-induced contact hypersensitivity reaction (CHR) in mice. In the course of our structure and activity relationship study, we found that compounds 6k, 6q, and 6r inhibited by approximately 50% the CHR, at 0.1 mg/ear. These activities were essentially equipotent with that of Tacrolimus, a strong immunosuppressant. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.09.012
• 作为产物：
  描述：

  异氰酸2-溴苯酯 、 甲胺 以99%的产率得到1-(2-溴苯基)-3-甲基脲
  参考文献：
  名称：

  Synthesis of 2-substituted-benzothiazoles by palladium-catalyzed intramolecular cyclization of o-bromophenylthioureas and o-bromophenylthioamides

  摘要：

  2-Amino-, and 2-alkyl-benzothiazoles have been efficiently prepared by palladium catalyzed cyclization of o-bromophenylthioureas and o-bromophenylthiamides. Results were best with the Pd-2(dba)(3)/monophosphine catalytic system. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01469-2

文献信息

• SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF
  申请人：UNIVERSITY OF TSUKUBA

  公开号：US20180179151A1

  公开（公告）日：2018-06-28

  The present invention aims to provide a novel low-molecular-weight compound exhibiting an orexin receptor agonist activity and expected to be useful as a prophylactic or therapeutic agent for narcolepsy and the like. The present invention provides a compound represented by the formula (I): wherein each symbol is as defined in the description, or a pharmaceutically acceptable acid addition salt thereof, which has an orexin receptor agonist activity, and an orexin receptor agonist containing the compound or a pharmaceutically acceptable acid addition salt thereof.

  本发明旨在提供一种新型低分子量化合物，表现出促进俄利班受体活性，并且预计可用作嗜睡症等疾病的预防或治疗药物。本发明提供一种由式(I)表示的化合物：其中每个符号如描述中定义，或其药用可接受的酸盐，具有促进俄利班受体活性，并且含有该化合物或其药用可接受的酸盐的俄利班受体激动剂。
• CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS
  申请人：Chao Jianhua

  公开号：US20070248594A1

  公开（公告）日：2007-10-25

  The present invention is directed to a compound having the general structure of formula (1): useful for the treatment, prevention or amelioration of a CXCR1 or CXCR2 chemokine-mediated disease.

  本发明涉及具有通式（1）的化合物：用于治疗、预防或改善CXCR1或CXCR2趋化因子介导的疾病。
• Synthesis of Pyrido[2,3-d]pyrimidines Catalyzed by 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone (DDQ)/tert-Butyl Nitrite (TBN)/O2
  作者：Dongping Cheng、Jing-Hua Li、Xiaoliang Xu、Hongshuang Xia、Huafang Gu、Yawei Wang

  DOI：10.1055/a-2156-7470

  日期：2023.12

  uracils/thiouracil with 1,3-diarylpropenes is disclosed. It undergoes oxidative coupling, intramolecular cyclization, and dehydro-aromatization to provide multi-substituted pyrido[2,3-d]pyrimidines/thiopyrido[2,3-d]pyrimidines in moderate to excellent yields. It has the advantages of high atom economy, green terminal oxidant, and metal-free conditions.

  公开了在2,3-二氯-5,6-二氰基-1,4-苯醌(DDQ)/亚硝酸叔丁酯(TBN)/O2催化下，尿嘧啶/硫尿嘧啶与1,3-二芳基丙烯的高效串联氧化反应。它经历氧化偶联、分子内环化和脱氢芳构化，以中等至优异的产率提供多取代的吡啶并[2,3-d]嘧啶/硫代吡啶并[2,3-d]嘧啶。具有原子经济性高、末端氧化剂绿色、无金属条件等优点。
• Sulfonamide derivative and pharmaceutically acceptable acid addition salt thereof
  申请人：UNIVERSITY OF TSUKUBA

  公开号：US10351522B2

  公开（公告）日：2019-07-16

  The present invention aims to provide a novel low-molecular-weight compound exhibiting an orexin receptor agonist activity and expected to be useful as a prophylactic or therapeutic agent for narcolepsy and the like. The present invention provides a compound represented by the formula (I): wherein each symbol is as defined in the description, or a pharmaceutically acceptable acid addition salt thereof, which has an orexin receptor agonist activity, and an orexin receptor agonist containing the compound or a pharmaceutically acceptable acid addition salt thereof.

  本发明旨在提供一种新型低分子量化合物，该化合物具有奥曲肽受体激动剂活性，有望用作嗜睡症等的预防或治疗药物。本发明提供了一种由式（I）代表的化合物： 其中各符号如描述中所定义，或其药学上可接受的酸加成盐，具有奥曲肽受体激动剂活性，以及含有该化合物或其药学上可接受的酸加成盐的奥曲肽受体激动剂。
• US7326729B2
  申请人：——

  公开号：US7326729B2

  公开（公告）日：2008-02-05