2-(methyloxy)-4-(1-methyl-3-piperidinyl)aniline | 1116228-62-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-(methyloxy)-4-(1-methyl-3-piperidinyl)aniline
• 英文别名: 2-Methoxy-4-(1-methylpiperidin-3-yl)aniline
• CAS: 1116228-62-6
• 化学式: C₁₃H₂₀N₂O
• 分子量: 220.315
• InChiKey: ZFSUHCWWEUIUHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  38.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(methyloxy)-4-(1-methyl-3-piperidinyl)aniline 在 platinum(IV) oxide 、 氢气 、 三氟乙酸 作用下， 以 甲醇 、 仲丁醇 为溶剂， 生成
  参考文献：
  名称：

  Discovery of selective irreversible inhibitors for EGFR-T790M

  摘要：

  Targeting the epidermal growth factor receptor kinase (EGFR) with ATP-competitive kinase inhibitors results in dramatic but short-lived responses in patients with EGFR mutant non small cell lung cancer. A series of novel covalent EGFR kinase inhibitors with selectivity for the clinically relevant T790M 'gatekeeper' resistance mutation relative to wild-type EGFR were discovered by library screening. A representative compound 3i was obtained through a systematic SAR study guided by mutant EGFR-dependent cellular proliferation assays. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.036

文献信息

• [EN] PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS<br/>[FR] PYRROLOTRIAZINES EN TANT QU'INHIBITEURS D'ALK ET DE JAK2
  申请人：CEPHALON INC

  公开号：WO2010071885A1

  公开（公告）日：2010-06-24

  The present invention provides a compound of formula (I) or a salt form thereof, wherein Q1, Q2, Q3, and Q4 are as defined herein. The compound of formula (I) has ALK and/or JAK2 inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了一种式（I）的化合物或其盐形式，其中Q1、Q2、Q3和Q4如本文所定义。式（I）的化合物具有ALK和/或JAK2抑制活性，并可用于治疗增殖性疾病。
• [EN] 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE 2-[(2-{PHÉNYLAMINO}-1H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]BENZAMIDE EN TANT QU'INHIBITEUR D'IGF-1R POUR LE TRAITEMENT DU CANCER
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009020990A1

  公开（公告）日：2009-02-12

  Novel pyrrolopyrimidines as shown in formula (I) and pharmaceutically acceptable derivatives thereof. The compounds are useful in the inhibition of IGF-1R.

  新型吡咯吡嘧啶如公式(I)所示，及其药用可接受的衍生物。这些化合物在抑制IGF-1R方面是有用的。
• PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS
  申请人：Breslin Henry J.

  公开号：US20120028919A1

  公开（公告）日：2012-02-02

  The present invention provides a compound of formula I or a salt form thereof, wherein Q 1 , Q 2 , Q 3 , and Q 4 are as defined herein. The compound of formula I has ALK and/or JAK2 inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了公式I或其盐形式的化合物，其中Q1、Q2、Q3和Q4的定义如本文所述。公式I的化合物具有ALK和/或JAK2抑制活性，可用于治疗增生性疾病。
• 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer
  申请人：Chamberlain Stanley Dawes

  公开号：US20100204196A1

  公开（公告）日：2010-08-12

  Novel pyrrolopyrimidines as shown in formula (I): and pharmaceutically acceptable derivatives thereof. The compounds are useful in the inhibition of IGF-1R.

  式(I)所示的新型吡咯吡咪啉及其药学上可接受的衍生物。这些化合物在抑制IGF-1R方面是有用的。
• Discovery of a series of benzopyrimidodiazepinone TNK2 inhibitors via scaffold morphing
  作者：Zhengnian Li、Chelsea E. Powell、Brian J. Groendyke、Thomas W. Gero、Frederic Feru、John Feutrill、Bailing Chen、Bin Li、Hilary Szabo、Nathanael S. Gray、David A. Scott

  DOI：10.1016/j.bmcl.2020.127456

  日期：2020.10

  The protein kinase TNK2 (ACK1) is an emerging drug target for a variety of indications, in particular for cancer where it plays a key role transmitting cell survival, growth and proliferative signals via modification of multiple downstream effectors by unique tyrosine phosphorylation events. Scaffold morphing based on our previous TNK2 inhibitor XMD8-87 identified urea 17 from which we developed the potent and selective compound 32. A co-crystal structure was obtained showing 32 interacting primarily with the main chain atoms of an alanine residue of the hinge region. Additional H-bonds exist between the urea NHs and the Thr205 and Asp270 residues.