苯酰胺,2-氨基-N-[[[4-[(5-溴-2-嘧啶基)氧代]-3-甲基苯基]氨基]羰基]- | 134742-27-1

• 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: 苯酰胺,2-氨基-N-[[[4-[(5-溴-2-嘧啶基)氧代]-3-甲基苯基]氨基]羰基]-
• 英文名称: 2-amino-N-((4-((5-bromopyrimidin-2-yl)oxy)-3-methylphenyl)carbamoyl)benzamide
• 英文别名: N-(2-aminobenzoyl)-N'-[4-(5-bromo-2-pyrimidinyloxy)-3-methylphenyl]urea；Benzamide, 2-amino-N-[[4-[(5-bromopyrimidin-2-yl)oxy]3-methylphenyl]aminocarbonyl]-；2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]benzamide
• CAS: 134742-27-1
• 化学式: C₁₉H₁₆BrN₅O₃
• 分子量: 442.272
• InChiKey: ORIPEOKULFJBFK-UHFFFAOYSA-N

物化性质

• 密度：
  1.565±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  119
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  苯酰胺,2-氨基-N-[[[4-[(5-溴-2-嘧啶基)氧代]-3-甲基苯基]氨基]羰基]- 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 2-amino-N-(2-{3-[4-(5-bromo-pyrimidin-2-yloxy)-3-methyl-phenyl]-ureidocarbonyl}-phenyl)-propionamide; compound with trifluoro-acetic acid
  参考文献：
  名称：

  水溶性苯甲酰基苯基脲的合成及其抗肿瘤活性。

  摘要：

  合成了水溶性苯甲酰基苯基脲衍生物作为候选前药，并在体内检测了其对P388白血病的抗肿瘤活性。当静脉注射时，一些前药高度溶于水，并且对小鼠的P388白血病细胞显示出良好的抗肿瘤活性。

  DOI：

  10.1248/cpb.47.430
• 作为产物：
  描述：

  2-nitrobenzoyl isocyanate 在 铁粉 、 溶剂黄146 作用下， 以 1,4-二氧六环 为溶剂， 反应 7.0h， 生成 苯酰胺,2-氨基-N-[[[4-[(5-溴-2-嘧啶基)氧代]-3-甲基苯基]氨基]羰基]-
  参考文献：
  名称：

  Synthesis and antitumor evaluation of benzoylphenylurea analogs

  摘要：

  Novel series of benzoylphenylurea analogs 7-10 were prepared and evaluated for in vitro cytotoxic activity against a panel of eight different human cancer cell lines. A very interesting inhibition profile against BxPC3, Mia-Paca, and Hep2 cells with compound 10 has been observed. Compounds 8 and 9 showed the significant cytotoxicity in Hep2 cells. All cell lines were resistant to compound 7. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.019

文献信息

• [EN] hTERT MODULATORS AND METHODS OF USE<br/>[FR] MODULATEURS HTERT ET PROCÉDÉS D'UTILISATION
  申请人：UNIV ARIZONA

  公开号：WO2017095969A1

  公开（公告）日：2017-06-08

  The present invention provides hTERT modulators and methods for producing and using the same. In particular, the present invention provide a compound of the formula as described herein. Some aspects of the invention are based on the characterization of the effect of hTERT core promoter region mutants on the 5-12 G-quadruplex structure and its stability. It is believed that some of the compounds of the invention bind selectively to the G-quadruplex in the hTERT core promoter mutant, which results in reversal of the effect of mutant promoter activation.

  本发明提供hTERT调节剂及其生产和使用方法。具体来说，本发明提供了如下所述的一种化合物。该发明的一些方面基于对hTERT核心启动子区域突变体对5-12 G-四链结构及其稳定性影响的表征。据信，本发明的一些化合物选择性地结合到hTERT核心启动子突变体中的G-四链结构，从而逆转突变启动子激活的效果。
• Substituted benzoylurea compounds or their salts, processes for their
  申请人：Ishihara Sangyo Kaisha Ltd.

  公开号：US05102884A1

  公开（公告）日：1992-04-07

  A substituted benzoylurea compound of the formula (I): ##STR1## wherein R.sup.1 is a hydrogen atom, a halogen atom or a nitro group, each of R.sup.2 and R.sup.3 is a hydrogen atom, an alkyl group, --COR.sup.6 (wherein R.sup.6 is an alkyl group or an alkoxy group) or --SO.sub.2 R.sup.6 (wherein R.sup.6 is as defined above), or R.sup.2 and R.sup.3 may form together with the adjacent nitrogen atom a heterocyclic ring, R.sup.4 is a halogen atom, a substituted or unsubstituted alkyl group, a substituted or unsubstituted alkoxy group, a substituted or unsubstituted alkylthio group or a nitro group, and R.sup.5 is a halogen atom, a nitro group or a substituted or unsubstituted alkyl group, or its salt.

  化合物的结构式（I）如下：##STR1## 其中R.sup.1是氢原子、卤原子或硝基基团，R.sup.2和R.sup.3中的每一个是氢原子、烷基基团、--COR.sup.6（其中R.sup.6是烷基基团或烷氧基团）或--SO.sub.2 R.sup.6（其中R.sup.6如上定义），或R.sup.2和R.sup.3可能与相邻的氮原子一起形成杂环环，R.sup.4是卤原子、取代或未取代的烷基基团、取代或未取代的烷氧基团、取代或未取代的烷硫基团或硝基基团，R.sup.5是卤原子、硝基基团或取代或未取代的烷基基团，或其盐。
• Substituted benzoylurea compounds or their salts, processes for their production and antitumour compositions containing them
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP0413977A2

  公开（公告）日：1991-02-27

  A substituted benzoylurea compound of the formula (I): wherein R¹ is a hydrogen atom, a halogen atom or a nitro group, each of R² and R³ is a hydrogen atom, an alkyl group, -COR⁶ (wherein R⁶ is an alkyl group or an alkoxy group) or -SO₂R⁶ (wherein R⁶ is as defined above), or R² and R³ may form together with the adjacent nitrogen atom a heterocyclic ring, R⁴ is a halogen atom, a substituted or unsubstituted alkyl group, a substituted or unsubstituted alkoxy group, a substituted or unsubstituted alkylthio group or a nitro group, and R⁵ is a halogen atom, a nitro group or a substituted or unsubstituted alkyl group, or its salt.

  化合物的化学式（I）为：其中R¹是氢原子、卤素原子或硝基基团，R²和R³分别是氢原子、烷基、-COR⁶（其中R⁶是烷基或烷氧基）或-SO₂R⁶（其中R⁶如上所定义），或R²和R³可以与相邻的氮原子形成杂环环，R⁴是卤素原子、取代或未取代的烷基、取代或未取代的烷氧基、取代或未取代的烷硫基或硝基，R⁵是卤素原子、硝基或取代或未取代的烷基，或其盐。
• hTERT modulators and methods of use
  申请人：Arizona Board of Regents on Behalf of the University of Arizona

  公开号：US10556860B2

  公开（公告）日：2020-02-11

  The present invention provides hTERT modulators and methods for producing and using the same. In particular, the present invention provide a compound of the formula as described herein. Some aspects of the invention are based on the characterization of the effect of hTERT core promoter region mutants on the 5-12 G-quadruplex structure and its stability. It is believed that some of the compounds of the invention bind selectively to the G-quadruplex in the hTERT core promoter mutant, which results in reversal of the effect of mutant promoter activation.

  本发明提供了 hTERT 调节剂及其生产和使用方法。特别是，本发明提供了如本文所述的式化合物。本发明的某些方面基于 hTERT 核心启动子区突变体对 5-12 G-四链结构及其稳定性影响的表征。据信，本发明的某些化合物可选择性地与 hTERT 核心启动子突变体中的 G-四叉体结合，从而逆转突变体启动子激活的效应。
• hTERT MODULATORS AND METHODS OF USE
  申请人：THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARZONA

  公开号：US20180346415A1

  公开（公告）日：2018-12-06

  The present invention provides hTERT modulators and methods for producing and using the same. In particular, the present invention provide a compound of the formula as described herein. Some aspects of the invention are based on the characterization of the effect of hTERT core promoter region mutants on the 5-12 G-quadruplex structure and its stability. It is believed that some of the compounds of the invention bind selectively to the G-quadruplex in the hTERT core promoter mutant, which results in reversal of the effect of mutant promoter activation.