3-(3-甲氧基苯氧基)-苯胺 | 116289-64-6

• 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-(3-甲氧基苯氧基)-苯胺
• 英文名称: 3-(3-methoxyphenoxy)aniline
• CAS: 116289-64-6
• 化学式: C₁₃H₁₃NO₂
• 分子量: 215.252
• InChiKey: LRDGIXJAHNJZQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(3-甲氧基苯氧基)-苯胺 在 三乙胺 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 生成
  参考文献：
  名称：

  10.1002/ddr.22224

  摘要：

  AbstractThe mammalian cytoplasmic protein SIRT2, a class III histone deacetylase family member, possesses NAD+‐dependent lysine deacetylase/deacylase activity. Dysregulation of SIRT2 has been implicated in the pathogenesis of several diseases, including neurological and metabolic disorders and cancer; thus, SIRT2 emerges as a potential therapeutic target. Herein, we identified a series of diaryl acetamides (ST61‐ST90) by the structural optimization of our hit STH2, followed by enhanced SIRT2 inhibitory potency and selectivity. Among them, ST72, ST85, and ST88 selectively inhibited SIRT2 with IC50 values of 9.97, 5.74, and 8.92 μM, respectively. Finally, the entire study was accompanied by in silico prediction of binding modes of docked compounds and the stability of SIRT2‐ligand complexes. We hope our findings will provide substantial information for designing selective inhibitors of SIRT2.

  DOI：

  10.1002/ddr.22224
• 作为产物：
  描述：

  间氟硝基苯 在 palladium on activated charcoal 、 氢气 、 potassium carbonate 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 3-(3-甲氧基苯氧基)-苯胺
  参考文献：
  名称：

  [EN] INHIBITORS OF YAP/TAZ-TEAD ONCOPROTEINS, SYNTHESIS AND USE THEREOF
  [FR] INHIBITEURS D'ONCOPROTÉINES YAP/TAZ-TEAD, LEUR SYNTHÈSE ET LEUR UTILISATION

  摘要：

  本文揭示了合成和使用针对转录增强因子TEF-1 (TEAD1)的共价抑制剂，可用于治疗胶质母细胞瘤、胃癌、结直肠癌、胰腺导管腺癌（PDAC）和恶性胸膜间皮瘤（MPM）等癌症。此外，本文还揭示了包括TEAD1抑制剂的药物组合物以及使用该药物组合物治疗癌症的方法。

  公开号：

  WO2022006548A1

文献信息

• 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER
  申请人：Centre National de la Recherche Scientifique

  公开号：EP3915990A1

  公开（公告）日：2021-12-01

  The present invention concerns a compound of formula (I), in particular as LIMK and/or ROCK kinases inhibitors. The present invention also concerns these new inhibitors for use for the treatment of a condition selected in the group consisting of: cancers, virion infections, ocular hypertension and glaucoma formation, Neurofibromatosis type 1 and 2, psoriatic lesions, inflammatory diseases and hyperalgesia, central sensitization and chronic pain, reproduction erectile dysfunction, and neuronal diseases. The present description discloses the syntheses and characterisation of exemplary compounds as well as pharmacological data thereof (e.g. pages 32 to 127; examples 1 to 96; families 1 to 8; compounds; biological studies; tables). An exemplary compound is e.g. 4-(5-m ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenyl-3,6-dihydropyridine-1-(2H)-carboxamide (example 1; compound 5).

  本发明涉及一种化合物，特别是作为LIMK和/或ROCK激酶抑制剂的化合物（I）的公式。本发明还涉及这些新抑制剂的用途，用于治疗所选组中的疾病，包括：癌症、病毒感染、眼压增高和青光眼形成、神经纤维瘤病1和2型、银屑病损、炎症性疾病和过敏症、中枢敏化和慢性疼痛、生殖勃起功能障碍和神经疾病。本说明披露了示例化合物的合成和表征，以及其药理学数据（例如第32至127页；示例1至96；家族1至8；化合物；生物学研究；表格）。一个示例化合物是4-(5-甲基-7H-吡咯并[2,3-d]嘧啶-4-基)-N-苯基-3,6-二氢吡啶-1-(2H)-甲酰胺（示例1；化合物5）。
• 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。
• POLYMERIZABLE COMPOSITION
  申请人：LG Chem, Ltd.

  公开号：EP3483200A1

  公开（公告）日：2019-05-15

  The present application relates to a polymerizable composition, a prepolymer, a phthalonitrile resin, a composite, a process for preparing the same, and a use thereof. The present application can provide a polymerizable composition comprising a curing agent which has excellent heat resistance and does not cause defects that may adversely affect physical properties. In addition, the present application allows for the polymerizable composition to exhibit appropriate curing properties, processing temperatures and process windows and to be capable of forming a composite of excellent physical properties.

  本申请涉及一种可聚合组合物、一种预聚物、一种邻苯二腈树脂、一种复合材料、一种制备方法及其用途。本申请可提供一种包含固化剂的可聚合组合物，该固化剂具有优异的耐热性，并且不会产生可能对物理性质产生不利影响的缺陷。此外，本申请还能使可聚合组合物表现出适当的固化性能、加工温度和加工窗口，并能形成物理性能优异的复合材料。
• 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.
• 4-Substituted anilides as selective melatonin MT 2 receptor agonists
  作者：James R. Epperson、Jeffrey A. Deskus、Anthony J. Gentile、Lawrence G. Iben、Elaine Ryan、Nathan S. Sarbin

  DOI：10.1016/j.bmcl.2003.11.030

  日期：2004.2

  A series of 4-substituted anilides with human melatonergic affinity is reported. Butyramides 26, 39, 42, 52, 57, and 58 all demonstrated subnanomolar MT2 binding affinity and MT2 selectivity of at least 70-fold over the MT1 receptor. Compound 26 demonstrated full agonism at the MT2 receptor. (C) 2003 Elsevier Ltd. All rights reserved.