2-methylpropan-2-yl 4-[4-amino-3-(propan-2-yloxy)phenyl]piperidine-1-carboxylate | 1445894-89-2

• 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-methylpropan-2-yl 4-[4-amino-3-(propan-2-yloxy)phenyl]piperidine-1-carboxylate
• 英文别名: Tert-butyl 4-(4-amino-3-isopropoxyphenyl)piperidine-1-carboxylate；tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate
• CAS: 1445894-89-2
• 化学式: C₁₉H₃₀N₂O₃
• 分子量: 334.459
• InChiKey: DRAARPHSFOTACG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  64.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-methylpropan-2-yl 4-[4-amino-3-(propan-2-yloxy)phenyl]piperidine-1-carboxylate 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium carbonate 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 7-(2-methylphenyl)-N-[4-(piperidin-4-yl)-2-isopropoxyphenyl]-6-methylthieno[3,2-d]pyrimidine-2-amine
  参考文献：
  名称：

  EP3287463

  摘要：

  公开号：
• 作为产物：
  描述：

  3-氯氟苯 在 2-双环己基膦-2',6'-二甲氧基联苯 、 platinum(IV) oxide 、 tris-(dibenzylideneacetone)dipalladium(0) 、 硫酸 、 氢气 、 caesium carbonate 、 溶剂黄146 、 potassium nitrate 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 150.0 ℃ 、101.33 kPa 条件下， 生成 2-methylpropan-2-yl 4-[4-amino-3-(propan-2-yloxy)phenyl]piperidine-1-carboxylate
  参考文献：
  名称：

  Synthesis, Structure–Activity Relationships, and in Vivo Efficacy of the Novel Potent and Selective Anaplastic Lymphoma Kinase (ALK) Inhibitor 5-Chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine (LDK378) Currently in Phase 1 and Phase 2 Clinical Trials

  摘要：

  The synthesis, preclinical profile, and in vivo efficacy in rat xenograft models of the novel and selective anaplastic lymphoma kinase inhibitor 15b (LDK378) are described. In this initial report, preliminary structure-activity relationships (SARs) are described as well as the rational design strategy employed to overcome the development deficiencies of the first generation ALK inhibitor 4 (TAE684). Compound 15b is currently in phase 1 and phase 2 clinical trials with substantial antitumor activity being observed in ALK-positive cancer patients.

  DOI：

  10.1021/jm400402q

文献信息

• [EN] NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF<br/>[FR] NOUVEAUX DÉRIVÉS DE THIÉNOPYRIMIDINE, LEURS PROCÉDÉS DE PRÉPARATION ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：SANOFI SA

  公开号：WO2013150036A1

  公开（公告）日：2013-10-10

  The present invention relates to compounds of formula (I): wherein R6 is -CONH2 or a -C(Rα)(Rβ)(OH) group; R is a substituted phenyl or heteroaryl group; R7 is an optionally substituted aryl or heteroaryl group. Process for the preparation thereof and therapeutic use thereof.

  本发明涉及式(I)化合物的制备过程及其治疗用途：其中R6是-CONH2或一个-C(Rα)(Rβ)(OH)基团；R是一个取代的苯基或杂芳基团；R7是一个可选地取代的芳基或杂芳基团。
• NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF
  申请人：CARRY Jean-Christophe

  公开号：US20130261106A1

  公开（公告）日：2013-10-03

  The present invention relates to compounds of formula (I): wherein R6 is —CONH 2 or a —C(R α )(R β )(OH) group; R is a substituted phenyl or heteroaryl group; R7 is an optionally substituted aryl or heteroaryl group. Process for the preparation thereof and therapeutic use thereof.

  本发明涉及具有公式(I)的化合物： 其中R6是—CONH2或—C(Rα)(Rβ)(OH)基团；R是取代的苯基或杂芳基团；R7是可选地取代的芳基或杂芳基团。 其制备过程及其治疗用途。
• Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof
  申请人：SANOFI

  公开号：US09115140B2

  公开（公告）日：2015-08-25

  The present invention relates to compounds of formula (I): wherein R6 is —CONH2 or a —C(Rα)(Rβ)(OH) group; R is a substituted phenyl or heteroaryl group; R7 is an optionally substituted aryl or heteroaryl group. Process for the preparation thereof and therapeutic use thereof.

  本发明涉及式(I)的化合物：其中R6是—CONH2或—C(Rα)(Rβ)(OH)基团；R是取代苯基或杂环基团；R7是可选取代的芳基或杂环基团。本发明还涉及制备这些化合物的方法和治疗应用。
• [EN] N2-PHENYLPYRIMIDINE-2,4-DIAMINE COMPOUNDS, AND PREPARATION METHODS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS DE N2-PHÉNYLPYRIMIDINE-2,4-DIAMINE ET PROCÉDÉS DE PRÉPARATION ET PROCÉDÉS D'UTILISATION CORRESPONDANTS
  申请人：BRIDGE BIOTHERAPEUTICS INC

  公开号：WO2022208454A1

  公开（公告）日：2022-10-06

  The present disclosure relates to novel N2-phenylpyrimidine-2,4-diamine compounds, method for preparing the same, and pharmaceutical composition or health functional food for the prevention or treatment of cancer, containing the same as an active ingredient. The novel N2- phenylpyrimidine-2,4-diamine compounds show potent inhibitory efficacies on EGFR mutations and thus, can be effectively used for the treatment of cancer with EGFR mutations.

  本公开涉及新型N2-苯基嘧啶-2,4-二胺化合物、其制备方法以及包含其作为活性成分的预防或治疗癌症的药物组合物或保健功能食品。新型N2-苯基嘧啶-2,4-二胺化合物对EGFR突变具有强大的抑制效果，因此可以有效用于治疗EGFR突变的癌症。
• ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF
  申请人：Beijing Pearl Biotechnology Limited Liability Company

  公开号：EP3150592A1

  公开（公告）日：2017-04-05

  An ALK kinase inhibitor compound as represented by Formula I, pharmaceutical composition containing the compound, and preparation method and use thereof in the preparation of drugs serving as an ALK inhibitor for treating cancer.

  一种由式 I 表示的 ALK 激酶抑制剂化合物、含有该化合物的药物组合物及其制备方法和在制备治疗癌症的 ALK 抑制剂药物中的用途。