4-bromo-N²,N²-dimethyl-o-phenylenediamine | 1219730-96-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-bromo-N²,N²-dimethyl-o-phenylenediamine
• 英文别名: 4-Brom-N²,N²-dimethyl-o-phenylendiamin；5-Bromo-N1,N1-dimethylbenzene-1,2-diamine；4-bromo-2-N,2-N-dimethylbenzene-1,2-diamine
• CAS: 1219730-96-7
• 化学式: C₈H₁₁BrN₂
• 分子量: 215.093
• InChiKey: JGOMSKSXZAEGAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-bromo-N²,N²-dimethyl-o-phenylenediamine 在 sodium hydride 、 三乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 0.08h， 生成 N-[4-bromo-2-(dimethylamino)phenyl]-1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)-N-methyltriazole-4-carboxamide
  参考文献：
  名称：

  [EN] HETEROARYL CARBOXAMIDE AND RELATED GPR84 ANTAGONISTS AND USES THEREOF
  [FR] HÉTÉROARYL-CARBOXAMIDE ET ANTAGONISTES DE GPR84 ASSOCIÉS ET LEURS UTILISATIONS

  摘要：

  The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of GPR84, and the treatment of GPR84-mediated disorders.

  公开号：

  WO2024028363A1
• 作为产物：
  描述：

  5-bromo-N,N-dimethyl-2-nitroaniline 在 tin(II) chloride dihdyrate 作用下， 以 乙酸乙酯 为溶剂， 生成 4-bromo-N²,N²-dimethyl-o-phenylenediamine
  参考文献：
  名称：

  Discovery of Potent and Selective Urea-Based ROCK Inhibitors and Their Effects on Intraocular Pressure in Rats

  摘要：

  A series of urea-based Rho kinase (ROCK) inhibitors were designed and evaluated. The discovered compounds had excellent enzyme and cellular potency, high kinase selectivity, high aqueous solubility, good porcine corneal penetration, and appropriate DMPK profiles for topical applications as antiglaucoma therapeutics.

  DOI：

  10.1021/ml1000382

文献信息

• [EN] HETEROCYCLIC COMPOUND SERVING AS FGFR INHIBITOR AND APPLICATION THEREOF<br/>[FR] COMPOSÉ HÉTÉROCYCLIQUE SERVANT D'INHIBITEUR DE FGFR ET SON APPLICATION<br/>[ZH] 作为FGFR抑制剂的杂环化合物及其应用
  申请人：HAINAN SPARKLE THERAPEUTICS CO LTD

  公开号：WO2022206939A1

  公开（公告）日：2022-10-06

  提供了一类作为FGFR抑制剂的杂环化合物，具体公开了式(I)所示化合物、其立体异构体或药学上可接受的盐，
• LXIX.—3-Halogeno-6-nitro- and -6-amino-dimethyl-anilines
  作者：Herbert Henry Hodgson、Arnold Kershaw

  DOI：10.1039/jr9300000497

  日期：——
• Discovery of Potent and Selective Urea-Based ROCK Inhibitors and Their Effects on Intraocular Pressure in Rats
  作者：Yan Yin、Michael D. Cameron、Li Lin、Susan Khan、Thomas Schröter、Wayne Grant、Jennifer Pocas、Yen Ting Chen、Stephan Schürer、Alok Pachori、Philip LoGrasso、Yangbo Feng

  DOI：10.1021/ml1000382

  日期：2010.7.8

  A series of urea-based Rho kinase (ROCK) inhibitors were designed and evaluated. The discovered compounds had excellent enzyme and cellular potency, high kinase selectivity, high aqueous solubility, good porcine corneal penetration, and appropriate DMPK profiles for topical applications as antiglaucoma therapeutics.
• [EN] HETEROARYL CARBOXAMIDE AND RELATED GPR84 ANTAGONISTS AND USES THEREOF<br/>[FR] HÉTÉROARYL-CARBOXAMIDE ET ANTAGONISTES DE GPR84 ASSOCIÉS ET LEURS UTILISATIONS
  申请人：[en]LIMINAL BIOSCIENCES LIMITED

  公开号：WO2024028363A1

  公开（公告）日：2024-02-08

  The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of GPR84, and the treatment of GPR84-mediated disorders.