7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2(1H)-one | 1256578-84-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2(1H)-one
• 英文别名: 7-methoxy-1,1-dimethyl-6-nitro-3,4-dihydronaphthalene-2(1H)-one；7-methoxy-1,1-dimethyl-6-nitro-3,4-dihydro-1H-naphthalen-2-one；7-Methoxy-1,1-dimethyl-6-nitro-3,4-dihydronaphthalen-2-one
• CAS: 1256578-84-3
• 化学式: C₁₃H₁₅NO₄
• 分子量: 249.266
• InChiKey: IARPYJKXHVIPRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2(1H)-one 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 生成 6-amino-7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2(1H)-one
  参考文献：
  名称：

  4-(2-AMINO-TETRAHYDRONAPHTHALENYL)PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT

  摘要：

  本发明涉及一种4-(2-氨基-四氢萘基)嘧啶衍生物，其制备方法以及包含其作为活性成分的用于预防或治疗癌症的药物组合物。本发明的4-(2-氨基-四氢萘基)嘧啶衍生物及其光学异构体或其药用可接受的盐对抑制间变性淋巴瘤激酶（ALK）活性非常有效，从而可以提高对具有间变性淋巴瘤激酶（ALK）融合蛋白如EML4-ALK和NPM-ALK的癌细胞的治疗效果，因此可以有效地作为预防或治疗癌症的药物组合物使用。

  公开号：

  US20180104242A1
• 作为产物：
  描述：

  7-甲氧基-1,1-二甲基-3,4-二氢萘-2(1H)-酮 在 potassium nitrate 、 三氟乙酸 作用下， 生成 7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2(1H)-one
  参考文献：
  名称：

  4-(2-AMINO-TETRAHYDRONAPHTHALENYL)PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT

  摘要：

  本发明涉及一种4-(2-氨基-四氢萘基)嘧啶衍生物，其制备方法以及包含其作为活性成分的用于预防或治疗癌症的药物组合物。本发明的4-(2-氨基-四氢萘基)嘧啶衍生物及其光学异构体或其药用可接受的盐对抑制间变性淋巴瘤激酶（ALK）活性非常有效，从而可以提高对具有间变性淋巴瘤激酶（ALK）融合蛋白如EML4-ALK和NPM-ALK的癌细胞的治疗效果，因此可以有效地作为预防或治疗癌症的药物组合物使用。

  公开号：

  US20180104242A1

文献信息

• TETRACYCLIC COMPOUND
  申请人：Kinoshita Kazutomo

  公开号：US20120083488A1

  公开（公告）日：2012-04-05

  A compound represented by the general Formula (I) below, or a salt or solvate thereof, which is useful as an ALK inhibitor, and is useful for prophylaxis or treatment of a disease accompanied by abnormality in ALK, for example, cancer, cancer metastasis, depression or cognitive function disorder: (meanings of the symbols that are included in the formula are as given in the specification).

  一种由下面的一般式（I）表示的化合物，或其盐或溶剂化物，可用作ALK抑制剂，对于伴有ALK异常的疾病的预防或治疗是有用的，例如癌症、癌症转移、抑郁症或认知功能障碍（方程式中包含的符号的含义如规范中所述）。
• TETRACYCLIC COMPOUNDS
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP2975024A1

  公开（公告）日：2016-01-20

  A compound represented by the general Formula (I) below, or a salt or solvate thereof, which is useful as an ALK inhibitor, and is useful for prophylaxis or treatment of a disease accompanied by abnormality in ALK, for example, cancer, cancer metastasis, depression or cognitive function disorder: (meanings of the symbols that are included in the formula are as given in the specification).

  下式（I）所代表的化合物或其盐或溶液，可作为 ALK 抑制剂，用于预防或治疗伴随 ALK 异常的疾病，例如癌症、癌症转移、抑郁症或认知功能障碍： (式中所含符号的含义与说明书中给出的相同）。
• 4-(2-amino-tetrahydronaphthalenyl)pyrimidine derivative, preparation method therefor, and pharmaceutical composition for preventing or treating cancer, containing same as active ingredient
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US10369149B2

  公开（公告）日：2019-08-06

  The present invention relates to a 4-(2-amino-tetrahydronaphthaleneyl)pyrimidine derivative, a preparation method thereof, and a pharmaceutical composition for the prevention or treatment of cancer comprising the same as an active ingredient. The 4-(2-amino-tetrahydronaphthaleneyl)pyrimidine derivative, the optical isomer thereof, or the pharmaceutically acceptable salt thereof of the present invention is very effective in suppressing anaplastic lymphoma kinase (ALK) activity and as a result it can improve the effectiveness of treatment on cancer cells having anaplastic lymphoma kinase (ALK) fusion proteins such as EML4-ALK and NPM-ALK, so that it can be effectively used as a pharmaceutical composition for preventing or treating cancer.

  本发明涉及一种 4-(2-氨基-四氢萘基)嘧啶衍生物、其制备方法和一种预防或治疗癌症的药物组合物，其有效成分包括 4-(2-氨基-四氢萘基)嘧啶衍生物。本发明的 4-(2-氨基-四氢萘基)嘧啶衍生物、其光学异构体或其药学上可接受的盐在抑制无性淋巴瘤激酶（ALK）活性方面非常有效，因此可以提高对具有无性淋巴瘤激酶（ALK）融合蛋白（如 EML4-ALK 和 NPM-ALK）的癌细胞的治疗效果，从而可以有效地用作预防或治疗癌症的药物组合物。
• Novel 2,4-diaminopyrimidines bearing tetrahydronaphthalenyl moiety against anaplastic lymphoma kinase (ALK): Synthesis, in vitro, ex vivo, and in vivo efficacy studies
  作者：Dawn Song、Minji Lee、Chi Hoon Park、Sunjoo Ahn、Chang Soo Yun、Chong Ock Lee、Hyoung Rae Kim、Jong Yeon Hwang

  DOI：10.1016/j.bmcl.2016.02.052

  日期：2016.4

  A series of novel 2,4-diaminopyrimidines bearing tetrahydronaphthalenyl moiety were synthesized and evaluated for their anti-anaplastic lymphoma kinase (ALK) activities using enzymatic and cell-based assays. Among the compounds synthesized, compound 17b showed promising pharmacological results in in vitro, ex vivo, and pharmacokinetic studies. An in vivo efficacy study with compound 17b demonstrated highly potent inhibitory activity in H3122 tumor xenograft model mice. A series of kinase assays showed that compound 17b inhibited various kinases including FAK, ACK1, FGFR, RSK1, IGF-1R, among others, thus demonstrating its potential for synergistic anti-tumor activity and development as a multi-targeted non-small cell lung cancer (NSCLC) therapy. (C) 2016 Elsevier Ltd. All rights reserved.
• US9126931B2
  申请人：——

  公开号：US9126931B2

  公开（公告）日：2015-09-08