4-bromo-2-isopropyl-5-methyl aniline | 857153-47-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-bromo-2-isopropyl-5-methyl aniline
• 英文别名: 4-Brom-2-isopropyl-5-methyl-anilin；4-Bromo-5-methyl-2-propan-2-ylaniline；4-bromo-5-methyl-2-propan-2-ylaniline
• CAS: 857153-47-0
• 化学式: C₁₀H₁₄BrN
• 分子量: 228.132
• InChiKey: PMBJYURBHYIAOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-bromo-2-isopropyl-5-methyl aniline 在 硫酸 作用下， 生成 2,5-dibromo-p-cumene
  参考文献：
  名称：

  Qvist, Acta Academiae Aboensis, Series B: Mathematica et Physica, 1948, vol. 16, # 1, p. 3,12

  摘要：

  DOI：
• 作为产物：
  描述：

  2-異丙-5-甲苯胺 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-bromo-2-isopropyl-5-methyl aniline
  参考文献：
  名称：

  Discovery of 2-arylamino-4-(1-methyl-3-isopropylsulfonyl-4-pyrazol-amino)pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors

  摘要：

  A new series of 2,4-diamino pyrimidine derivatives with a sulfone-substituted pyrazole right side-chain were discovered as potent anaplastic lymphoma kinase inhibitors. Structure-activity relationship of the left side-chain on phenyl substitutions were explored which delivered many potent ALK inhibitors. Among them, 29a showed favorable pharmacokinetic profiles in rats and dogs together with significant antitumor efficacy in EML4-ALK fusion xenograft model. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.06.021

文献信息

• 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。
• ALK kinase inhibitor, and preparation method and uses thereof
  申请人：BEIJING PEARL BIOTECHNOLOGY LIMITED LIABILITY COMPANY

  公开号：US10023593B2

  公开（公告）日：2018-07-17

  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。
• [EN] ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF<br/>[FR] INHIBITEUR DE LA KINASE ALK, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION<br/>[ZH] ALK激酶抑制剂及其制备方法和应用
  申请人：BEIJING PEARL BIOTECHNOLOGY LTD LIABILITY COMPANY

  公开号：WO2015180685A1

  公开（公告）日：2015-12-03

  一种如式I所示的ALK激酶抑制剂化合物，以及含有这些化合物的药物组合物，它们的制备方法和在制备用于作为ALK抑制剂的治疗癌症的药物的应用。
• EP3150592
  申请人：——

  公开号：——

  公开（公告）日：——
• ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF
  申请人：BEIJING PEARL BIOTECHNOLOGY LIMITED LIABILITY COMPANY

  公开号：US20170247392A1

  公开（公告）日：2017-08-31

  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.