2-chloro-4-(3-fluorobenzyloxy)aniline | 1282168-62-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-chloro-4-(3-fluorobenzyloxy)aniline
• 英文别名: 2-Chloro-4-(3-fluoro-benzyloxy)aniline；2-chloro-4-[(3-fluorophenyl)methoxy]aniline
• CAS: 1282168-62-0
• 化学式: C₁₃H₁₁ClFNO
• mdl: MFCD17934692
• 分子量: 251.688
• InChiKey: HTOOFJHPCPQRAB-UHFFFAOYSA-N

物化性质

• 沸点：
  370.6±32.0 °C(Predicted)
• 密度：
  1.306±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-chloro-4-(3-fluorobenzyloxy)aniline 、 (4-chlorothieno[2,3-d]pyrimidin-6-yl)(1-(phenylsulfonyl)-1H-indol-2-yl)methanone 以 丁酮 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  Novel inhibitors of epidermal growth factor receptor: (4-(Arylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)(1H-indol-2-yl)methanones and (1H-indol-2-yl)(4-(phenylamino)thieno[2,3-d]pyrimidin-6-yl)methanones

  摘要：

  Several members of the quinazoline class of known tyrosine kinase inhibitors are approved anticancer agents, often showing selectivity for receptors of the HER/ErbB-family. Combining structural elements of this class with the bisindolylmethanone-structure led to a series of novel compounds. These compounds inhibited EGFR in the nanomolar range. Moreover, inhibition of EGFR autophosphorylation in intact A431 cells was shown, with IC50 values ranging form 0.3-1 mu M for compound 42, and 0.1-0.3 mu M for 45. In a panel of 42 human tumor cell lines the sensitivity profile of the novel compounds was shown to be similar to that of the quinazoline class of tyrosine kinase inhibitors lapatinib and erlotinib (Tarceva (R)). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.11.023

文献信息

• [EN] NITROGEN HETEROCYCLIC COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES AZOTÉS ET LEURS MÉTHODES D'UTILISATION
  申请人：BLACK DIAMOND THERAPEUTICS INC

  公开号：WO2021127397A1

  公开（公告）日：2021-06-24

  The present disclosure relates to compounds of formula (I): and pharmaceutically acceptable salts and stereoisomers thereof. The present disclosure also relates to methods of preparing the compounds, compositions comprising the compounds, and methods of using the compounds as inhibitors of receptor tyrosine kinases, in particular oncogenic mutants of ErbB-receptors e.g. in the treatment of cancer.

  本公开涉及式(I)的化合物，以及其药学上可接受的盐和立体异构体。本公开还涉及制备这些化合物的方法，包含这些化合物的组合物，以及将这些化合物用作受体酪氨酸激酶的抑制剂的方法，特别是ErbB受体的致癌突变体，例如在癌症治疗中的应用。
• QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS
  申请人：Hanmi Science Co., Ltd.

  公开号：EP2611797A2

  公开（公告）日：2013-07-10
• [EN] HEART PROTECTION BY ADMINISTERING AN AMP-ACTIVATED PROTEIN KINASE ACTIVATOR<br/>[FR] PROTECTION CARDIAQUE PAR ADMINISTRATION D'UN ACTIVATEUR DE PROTÉINE KINASE ACTIVÉE PAR AMP
  申请人：OHTA YOSHIKAZU

  公开号：WO2010036910A1

  公开（公告）日：2010-04-01

  The present invention relates to a method to protect heart of a mammal by administering an AMP-activated protein kinase activator including its salt or prodrug to a mammal, a pharmaceutical composition containing at least the AMPK activator for heart protection, use of the AMPK activator for preparing the pharmaceutical composition for heart protection, a method to activate the AMPK by administering a compound having an activity of activating the AMPK including its salt or prodrug to a mammal, a pharmaceutical composition to activate the AMPK that includes at least the compound having an activity of activating the AMPK, and use of the compound having an activity of activating the AMPK for preparing the pharmaceutical composition.
• [EN] PREVENTION AND TREATMENT OF CANCER WITH RAS GENE MUTATION<br/>[FR] PRÉVENTION ET TRAITEMENT D'UN CANCER AVEC MUTATION DU GÈNE RAS
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2010036917A1

  公开（公告）日：2010-04-01

  The present invention relates to a method to prevent or treat cancer with RAS gene mutation by administering a EGFR/ErbB2 tyrosine kinase inhibitor, which has grater effect than conventional EGFR/ErbB2 tyrosine kinase inhibitors, or the salt or prodrug thereof to a mammal, a pharmaceutical composition containing at least the EGFR/ErbB2 tyrosine kinase inhibitor for treating or preventing cancer with RAS gene mutation, use of the EGFR/ErbB2 tyrosine kinase inhibitor for preparing the pharmaceutical composition for treating or preventing cancer with RAS gene mutation.
• [EN] QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS<br/>[FR] DÉRIVÉS DE QUINOLINE OU DE QUINAZOLINE AYANT UNE ACTIVITÉ INDUISANT L'APOPTOSE SUR LES CELLULES
  申请人：HANMI HOLDINGS CO LTD

  公开号：WO2012030160A2

  公开（公告）日：2012-03-08

  Provided is a pharmaceutical composition comprising, as an active ingredient, a quinoline or quinazoline derivative of formula (I), a pharmaceutically acceptable salt, an isomer, a hydrate, and a solvate thereof, which is effective in the prevention and treatment of a cancer, inflammation, autoimmune diseases or neurodegenerative disorders which are induced by the overexpression of inhibitor of apoptosis proteins (IAPs).