3-(邻甲苯基氧基)苯胺 | 116289-57-7

• 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: 3-(邻甲苯基氧基)苯胺
• 英文名称: 3-(o-tolyloxy)aniline
• 英文别名: 3-o-Tolyloxy-anilin；3-(2-Methylphenoxy)aniline
• CAS: 116289-57-7
• 化学式: C₁₃H₁₃NO
• 分子量: 199.252
• InChiKey: UKGBZDIJGCQUJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(邻甲苯基氧基)苯胺 在 吡啶 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 2,2,2-trifluoro-N-[3-(2-methylphenoxy)phenyl]-N-(pyrimidin-5-ylmethyl)ethane-sulfonamide
  参考文献：
  名称：

  Pyrimidine methyl anilines: selective potentiators for the metabotropic glutamate 2 receptor

  摘要：

  Pyrimidine methyl anilines as potent and selective mGlu2 potentiators are described. Findings from the structure-activity-relationship investigations are discussed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.079
• 作为产物：
  描述：

  (3-nitro-phenyl)-o-tolyl ether 在 一水合肼 作用下， 生成 3-(邻甲苯基氧基)苯胺
  参考文献：
  名称：

  Ikawa, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1955, vol. 75, p. 457,459

  摘要：

  DOI：

文献信息

• Discovery of a Functional Covalent Ligand Targeting an Intrinsically Disordered Cysteine within MYC
  作者：Lydia Boike、Alexander G. Cioffi、Felix C. Majewski、Jennifer Co、Nathaniel J. Henning、Michael D. Jones、Gang Liu、Jeffrey M. McKenna、John A. Tallarico、Markus Schirle、Daniel K. Nomura

  DOI：10.1016/j.chembiol.2020.09.001

  日期：2021.1

  remained intractable to direct targeting because much of MYC is intrinsically disordered. Here, we have performed a cysteine-reactive covalent ligand screen to identify compounds that could disrupt the binding of MYC to its DNA consensus sequence in vitro and also impair MYC transcriptional activity in situ in cells. We have identified a covalent ligand, EN4, that targets cysteine 171 of MYC within a predicted

  MYC 是大多数人类癌症的主要致癌转录驱动因子，由于 MYC 的大部分本质上是无序的，因此直接靶向仍然难以处理。在这里，我们进行了半胱氨酸反应性共价配体筛选，以鉴定可能在体外破坏 MYC 与其 DNA 共有序列结合并损害 MYC原位转录活性的化合物在细胞中。我们已经确定了一种共价配体 EN4，它在预测的蛋白质固有无序区域内靶向 MYC 的半胱氨酸 171。我们表明 EN4 直接靶向细胞中的 MYC，降低 MYC 和 MAX 热稳定性，抑制 MYC 转录活性，下调多个 MYC 转录靶标，并损害肿瘤发生。我们还展示了 EN4 的初始结构-活性关系，并确定了显示增强效力的化合物。总体而言，我们在 MYC 的内在无序区域内确定了一个独特的可配位位点，导致 MYC 转录活性的抑制。
• EPOXY COMPOUND AND MANUFACTURING METHOD THEREOF
  申请人：Ono Koutaro

  公开号：US20110040111A1

  公开（公告）日：2011-02-17

  A novel epoxy compound represented by the following formula and a method for producing the same are provided: wherein R 1 and R 2 are members selected from the group consisting of hydrogen, aliphatic hydrocarbon group having 1 to 4 carbon atoms, alicyclic hydrocarbon group having 3 to 6 carbon atoms, aromatic hydrocarbon group having 6 to 10 carbon atoms, halogen atom, ether group, ester group, acyl group and nitro group, n is an integer of 1 to 4, and m is an integer of 1 to 5.

  提供了一种由以下式表示的新型环氧化合物及其制备方法：其中R1和R2是从氢、具有1至4个碳原子的脂肪烃基、具有3至6个碳原子的脂环烃基、具有6至10个碳原子的芳香烃基、卤原子、醚基、酯基、酰基和硝基组成的群体中选择的成员，n是1至4的整数，m是1至5的整数。
• 1H,3H-pyrrol[1,2-c]thiazole derivatives and pharmaceutical compositions
  申请人：Rhone-Poulenc Sante

  公开号：US04783472A1

  公开（公告）日：1988-11-08

  A compound of the general formula I; ##STR1## in which R is hydrogen or a halogen or an alkyl, alkyloxy, alkylthio, trifluoromethyl, amino, alkylamino, dialkylamino, hydroxy, cyano, carboxy, alkylsulphinyl, alkylsulphonyl, sulphamido, alkylsulphamido, dialkylsulphamido, carbamoyl, alkylcarbamoyl, dialkylcarbamoyl, phenylcarbamoyl, diphenylcarbamoyl, pyridylcarbamoyl, dipyridylcarbamoyl, benzyl, alkylcarbonyl, benzoyl, alkyloxycarbonyl, phenoxycarbonyl, alkylcarbonyloxy, benzoyloxy, alkylcarbonylamino, benzamido, phenyl, phenoxy or phenylthio group, X is oxygen or sulphur or an imino, alkylimino, phenylimino, benzylimino, sulphinyl, sulphonyl, carbonyl, carbonylmethylene, methylenecarbonyl, carbonylvinylene or vinylenecarbonyl group, or X represents a valency bond or a straight-chain alkylene group containing 1 to 4 carbon atoms and Ar is a phenyl, naphthyl, pyridyl, quinolinyl, isoquinolinyl, thienyl, benzothienyl, thieno[3,2-b]thien-2-yl or thieno[2,3-b]thien-2-yl group, it being possible for the group Ar to be unsubstituted or substituted with one or more halogen or alkyl, alkyloxy, alkylthio, trifluoromethyl, amino, alkylamino, dialkylamino, hydroxy, cyano, carboxy, alkylsulphinyl, alkylsulphonyl, sulphamido, alkylsulphamido, dialkylsulphamido, carbamoyl, alkylcarbamoyl, dialkylcarbamoyl, phenylcarbamoyl, diphenylcarbamoyl, pyridylcarbamoyl, dipyridylcarbamoyl, benzyl, alkylcarbonyl, benzoyl, alkyloxycarbonyl, phenoxycarbonyl, alkylcarbonyloxy, benzoyloxy, alkylcarbonylamino or benzamido group; each alkyl moiety containing 1 to 4 straight- or branched-chain carbon atoms; the compound being in separate enantiomeric form or mixtures thereof or a pharmaceutically acceptable salt thereof is useful in the treatment of all the pathological conditions in which PAF-acether may be directly or indirectly implicated.

  通式为I的化合物；##STR1## 其中R是氢或卤素或烷基，烷氧基，烷硫基，三氟甲基，氨基，烷基氨基，二烷基氨基，羟基，氰基，羧基，烷基磺酰基，烷基磺酰基，磺酰胺基，烷基磺酰胺基，二烷基磺酰胺基，氨基甲酰基，烷基氨甲酰基，二烷基氨甲酰基，苯基氨甲酰基，二苯基氨甲酰基，吡啶基氨甲酰基，二吡啶基氨甲酰基，苄基，烷基羰基，苯甲酰基，烷氧羰酰基，苯氧羰酰基，烷基羰酰氧基，苯甲酰氧基，烷基羰基氨基，苯甲酰胺基，苯基，苯氧基或苯硫基，X是氧或硫或亚胺基，烷基亚胺基，苯基亚胺基，苄基亚胺基，磺酰基，磺酰基，羰基，羰基亚甲基，羰基乙烯基或乙烯基羰基基团，或X表示价键或含有1到4个碳原子的直链烷基基团，Ar是苯基，萘基，吡啶基，喹啉基，异喹啉基，噻吩基，苯并噻吩基，噻吩[3,2-b]噻吩-2-基或噻吩[2,3-b]噻吩-2-基团，其中Ar基团可能是未取代或取代一个或多个卤素或烷基，烷氧基，烷硫基，三氟甲基，氨基，烷基氨基，二烷基氨基，羟基，氰基，羧基，烷基磺酰基，烷基磺酰基，磺酰胺基，烷基磺酰胺基，二烷基磺酰胺基，氨基甲酰基，烷基氨甲酰基，二烷基氨甲酰基，苯基氨甲酰基，二苯基氨甲酰基，吡啶基氨甲酰基，二吡啶基氨甲酰基，苄基，烷基羰基，苯甲酰基，烷氧羰酰基，苯氧羰酰基，烷基羰酰氧基，苯甲酰氧基，烷基羰基氨基，苯甲酰胺基或苯基氨基基团；每个烷基含有1到4个直链或支链碳原子；该化合物以分离的对映异构体形式或其混合物或其药学上可接受的盐形式在PAF-acether可能直接或间接涉及的所有病理情况的治疗中有用。
• Orthogonal Cu- and Pd-Based Catalyst Systems for the O- and N-Arylation of Aminophenols
  作者：Debabrata Maiti、Stephen L. Buchwald

  DOI：10.1021/ja9081815

  日期：2009.12.2

  O- or N-arylated aminophenol products constitute a common structural motif in various potentially useful therapeutic agents and/or drug candidates. We have developed a complementary set of Cu- and Pd-based catalyst systems for the selective O- and N-arylation of unprotected aminophenols using aryl halides. Selective O-arylation of 3- and 4-aminophenols is achieved with copper-catalyzed methods employing picolinic acid or CyDMEDA, trans-N,N'-dimethyl-1,2-cyclohexanediamine, respectively, as the ligand. The selective formation of N-arylated products of 3- and 4-aminophenols can be obtained with BrettPhos precatalyst, a biarylmonophosphine-based palladium catalyst. 2-Aminophenol can be selectively N-arylated with CuI, although no system for the selective O-arylation could be found. Coupling partners with diverse electronic properties and a variety of functional groups can be selectively transformed under these conditions.
• US4783472A
  申请人：——

  公开号：US4783472A

  公开（公告）日：1988-11-08