(1S,2S,3R,4R)-3-Amino-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide trifluoroacetic acid salt

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (1S,2S,3R,4R)-3-Amino-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide trifluoroacetic acid salt
• 英文别名: (1S,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide;2,2,2-trifluoroacetic acid
• 化学式: C₂HF₃O₂*C₈H₁₂N₂O
• 分子量: 266.22
• InChiKey: QANVYSHUVXJDFF-BZUDZRPRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.25
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  106
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (1S,2S,3R,4R)-3-Amino-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide trifluoroacetic acid salt 在 盐酸 、 碳酸氢钠 作用下， 以 甲醇 、 水 、 异丙醇 为溶剂， 生成
  参考文献：
  名称：

  Pyrazole diaminopyrimidines as dual inhibitors of KDR and Aurora B kinases

  摘要：

  In an effort to identify kinase inhibitors with dual KDR/Aurora B activity and improved aqueous solubility compared to the Abbott dual inhibitor ABT-348, a series of novel pyrazole pyrimidines structurally related to kinase inhibitor AS703569 were prepared. SAR work provided analogs with significant cellular activity, measureable aqueous solubility and moderate antitumor activity in a mouse tumor model after weekly ip dosing. Unfortunately these compounds were pan-kinase inhibitors that suffered from narrow therapeutic indices which prohibited their use as antitumor agents. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.067
• 作为产物：
  描述：

  exo-3-azatricyclo[4.2.1.0^2,5]non-7-en-4-one 在 4-二甲氨基吡啶 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲基叔丁基醚 、 水 为溶剂， 反应 180.5h， 生成 (1S,2S,3R,4R)-3-Amino-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide trifluoroacetic acid salt
  参考文献：
  名称：

  Development and Scale-Up of an Optimized Route to the ALK Inhibitor CEP-28122

  摘要：

  Evolution of the process strategies to prepare CEP-28122, an anaplastic lymphoma kinase (ALK) inhibitor, is presented. The initial medicinal chemistry route, used for the preparation of key supplies for biological screening, is reviewed. In addition, the process research and development of the final optimized process for manufacture of preclinical and clinical supplies is discussed. Details regarding a blocking group strategy for selective nitration; discovery of a one-pot transfer hydrogenation to effect a reductive amination, nitro group reduction, and dehalogenation; an enzymatic resolution of a critical intermediate; and the discovery of a novel, stable, in situ generated mixed mesylate hydrochloride salt of the API are disclosed.

  DOI：

  10.1021/op200313v

文献信息

• 吡啶并环类化合物及其医药用途
  申请人：正大天晴药业集团股份有限公司

  公开号：CN113582988A

  公开（公告）日：2021-11-02

  本申请涉及吡啶并环类化合物及其医药用途，结构如式(I)所示。本申请还涉及所述化合物的制备方法、药物组合物以及其作为FGFR4抑制剂在治疗癌症中的用途。
• [EN] IMIDAZO [4, 5 - B] PYRIDINE DERIVATIVES AS ALK AND JAK MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS<br/>[FR] DÉRIVÉS IMIDAZO [4,5-B] PYRIDINE COMME MODULATEURS D'ALK ET DE JAK POUR LE TRAITEMENT DE TROUBLES PROLIFÉRATIFS
  申请人：CEPHALON INC

  公开号：WO2013116291A1

  公开（公告）日：2013-08-08

  This application relates to compounds of the Formula I as defined herein, and/or salts thereof. This application further relates to compositions and methods of using these compounds and/or salts thereof. The compounds of Formula I are useful as ALK and JAK modulators for the treatment of proliferative disorders.

  这项申请涉及到本文所定义的Formula I化合物及/或其盐。此申请进一步涉及到使用这些化合物和/或其盐的组合物和方法。Formula I化合物可用作ALK和JAK调节剂，用于治疗增殖性疾病。
• Approaches to selective fibroblast growth factor receptor 4 inhibition through targeting the ATP-pocket middle-hinge region
  作者：Robin A. Fairhurst、Thomas Knoepfel、Catherine Leblanc、Nicole Buschmann、Christoph Gaul、Jutta Blank、Inga Galuba、Jörg Trappe、Chao Zou、Johannes Voshol、Christine Genick、Peggy Brunet-Lefeuvre、Francis Bitsch、Diana Graus-Porta、Pascal Furet

  DOI：10.1039/c7md00213k

  日期：——

  Structurally diverse covalent and non-covalent series of selective FGFR4 inhibitors have been identified.

  已经找到了一系列结构多样的选择性FGFR4抑制剂，其中包括共价和非共价结构。
• Kinase Inhibitors And Their Uses
  申请人：Ding Pingyu

  公开号：US20070142402A1

  公开（公告）日：2007-06-21

  The present disclosure provides compounds that inhibit protein kinases, such as JAK, Axl, or Syk kinases, compositions comprising the compounds and methods of using the compounds to inhibit protein kinase and treat and/or prevent diseases associated with inappropriate kinase activity.

  本公开提供了抑制蛋白激酶的化合物，例如JAK、Axl或Syk激酶，包括该化合物的组合物以及使用该化合物抑制蛋白激酶并治疗和/或预防与不适当激酶活性相关的疾病的方法。
• FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS
  申请人：Ahmed Gulzar

  公开号：US20090221555A1

  公开（公告）日：2009-09-03

  The present invention provides a compound of formula I or II or a pharmaceutically acceptable salt form thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , A 1 , A 2 , A 3 , A 4 , and A 5 , are as defined herein. The compounds of formula I or II have ALK and/or c-Met inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供公式I或II化合物或其药学上可接受的盐形式，其中R1、R2、R3、R4、R5、A1、A2、A3、A4和A5如本文所定义。公式I或II化合物具有ALK和/或c-Met抑制活性，可用于治疗增殖性疾病。