2,6-difluoro-methylaniline | 55847-14-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,6-difluoro-methylaniline
• 英文别名: 2,6-Difluoro-N-methylaniline
• CAS: 55847-14-8
• 化学式: C₇H₇F₂N
• mdl: MFCD11178054
• 分子量: 143.136
• InChiKey: FYRGAOZTXCHMGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,6-difluoro-methylaniline 、 ethyl 1,2-dihydro-4-hydroxy-1-methyl-5-methoxy-2-oxo-3-quinolinecarboxylate 以 甲苯 为溶剂， 反应 6.0h， 以83%的产率得到4-Hydroxy-5-methoxy-1-methyl-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid (2,6-difluoro-phenyl)-methyl-amide
  参考文献：
  名称：

  Synthesis and Biological Evaluation of New 1,2-Dihydro-4-hydroxy-2-oxo-3-quinolinecarboxamides for Treatment of Autoimmune Disorders:  Structure−Activity Relationship

  摘要：

  Roquinimex-related 3-quinolinecarboxamide derivatives were prepared and evaluated for treatment of autoimmune disorders. The compounds were tested in mice for their inhibitory effects on disease development in the acute experimental autoimmune encephalomyelitis model and selected compounds in the beagle dog for induction of proinflammatory reaction. Structure-activity relationships are discussed. Compound 8c, laquinimod, showed improved potency and superior toxicological profile compared to the lead compound roquinimex (1b, Linomide) and was selected for clinical studies (currently in phase II).

  DOI：

  10.1021/jm031044w

文献信息

• Modulators of Cystic Fibrosis Transmembrane Conductance Regulator
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：US20160095858A1

  公开（公告）日：2016-04-07

  The present invention features a compound of formula I: or a pharmaceutically acceptable salt thereof, where R 1 , R 2 , R 3 , W, X, Y, Z, n, o, p, and q are defined herein, for the treatment of CFTR mediated diseases, such as cystic fibrosis. The present invention also features pharmaceutical compositions, method of treating, and kits thereof.

  本发明涉及一种具有以下化学式I的化合物： 或其药用可接受的盐，其中R 1 ，R 2 ，R 3 ，W，X，Y，Z，n，o，p和q在此处定义，用于治疗CFTR介导的疾病，如囊性纤维化。本发明还涉及药物组合物、治疗方法和相关工具包。
• [EN] MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR<br/>[FR] MODULATEURS DU RÉGULATEUR DE LA CONDUCTANCE TRANSMEMBRANAIRE DE LA FIBROSE KYSTIQUE
  申请人：VERTEX PHARMA

  公开号：WO2017173274A1

  公开（公告）日：2017-10-05

  The present disclosure features a compound of formula I: or a pharmaceutically acceptable salt thereof, where R1, R2, W, X, Z, n, p, and Rings A and B are defined herein, for the treatment of CFTR mediated diseases, such as cystic fibrosis. The present disclosure also features pharmaceutical compositions, method of treating, and kits thereof.

  本公开涉及一种具有化学式I的化合物：或其药用可接受的盐，其中R1、R2、W、X、Z、n、p以及环A和环B在此处被定义，用于治疗CFTR介导的疾病，如囊性纤维化。本公开还涉及药物组合物、治疗方法以及相关工具包。
• Azaquinazoline Inhibitors Of Atypical Protein Kinase C
  申请人：Ignyta, Inc.

  公开号：US20150274720A1

  公开（公告）日：2015-10-01

  The present application provides a compound of formula (I) and/or a salt thereof, wherein R 1 , G, and X are as defined herein. A compound of formula (I) and/or its salts have aPKC inhibitory activity, and may be used to treat proliferative disorders. Compositions comprising a compound of Formula (I) and/or a salt thereof are also provided.

  本申请提供了一种具有化学式（I）的化合物和/或其盐，其中R1、G和X如本文所定义。化合物的化学式（I）和/或其盐具有aPKC抑制活性，并可用于治疗增生性疾病。还提供了包含化学式（I）的化合物和/或其盐的组合物。
• BIGUANIDE COMPOUNDS AND USE THEREOF
  申请人：HANALL BIOPHARMA CO., LTD.

  公开号：US20150126518A1

  公开（公告）日：2015-05-07

  The present invention relates to biguanide compounds and use thereof, more particularly, to biguanide derivatives exhibiting excellent effects for inhibition of cancer cell proliferation and inhibition of cancer metastasis and recurrence, a method for preparing the same, a pharmaceutical composition containing the same as an active ingredient, and a method of prevention or treatment of cancer comprising the step of administering an effective amount of the composition to a subject in need thereof.

  本发明涉及双胍类化合物及其使用，更具体地涉及表现出对抑制癌细胞增殖、抑制癌转移和复发具有优异效果的双胍衍生物，以及制备该化合物的方法、含有该化合物作为活性成分的药物组合物，以及包括向需要的受试者施用所述组合物的有效量的步骤的癌症预防或治疗方法。
• [EN] HETEROCYCLIC COMPOUNDS AS BET INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS DE BET
  申请人：NUVATION BIO INC

  公开号：WO2021003310A1

  公开（公告）日：2021-01-07

  Novel bromodomain and extraterminal domain (BET) inhibitors and to therapeutic methods of treating conditions and diseases using these novel BET inhibitors are provided.

  提供了新型溴结构域和外端结构域（BET）抑制剂，以及利用这些新型BET抑制剂治疗疾病和病症的治疗方法。