6-methoxy-7-nitro-3,4-dihydroisoquinoline-1(2H)-one | 1116230-99-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 6-methoxy-7-nitro-3,4-dihydroisoquinoline-1(2H)-one
• 英文别名: 6-methoxy-7-nitro-3,4-dihydro-2H-isoquinolin-1-one；6-methoxy-7-nitro-3,4-dihydroisoquinolin-1(2H)-one
• CAS: 1116230-99-9
• 化学式: C₁₀H₁₀N₂O₄
• 分子量: 222.2
• InChiKey: WWHIGRXHZFEZGK-UHFFFAOYSA-N

物化性质

• 沸点：
  533.5±50.0 °C(Predicted)
• 密度：
  1.349±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-methoxy-7-nitro-3,4-dihydroisoquinoline-1(2H)-one 在 硼烷四氢呋喃络合物 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 12.0h， 生成 tert-butyl 6-methoxy-7-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate
  参考文献：
  名称：

  PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT

  摘要：

  本发明涉及一种嘧啶-2,4-二胺衍生物或其药学上可接受的盐，以及包含该衍生物作为有效成分的用于预防或治疗癌症的药物组合物。根据本发明的化合物具有良好的抑制间变性淋巴瘤激酶（ALK）活性的效果，从而能够增强对含有间变性淋巴瘤激酶（ALK）融合蛋白（如EML4-ALK、NPM-ALK等）的癌细胞的治疗效果，并有望有效抑制癌症的复发。因此，该化合物可有效地用于预防或治疗癌症的药物组合物中。

  公开号：

  US20170145007A1
• 作为产物：
  描述：

  3-甲氧基苯乙基氨基甲酸乙酯 在 硫酸 、 potassium nitrate 作用下， 反应 3.0h， 生成 6-methoxy-7-nitro-3,4-dihydroisoquinoline-1(2H)-one
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationship studies of conformationally restricted mutilin 14-carbamates

  摘要：

  We report herein the design, synthesis, and structure-activity relationship studies of conformationally restricted mutilin 14-carbamates based on the structure of SB-222734. The antibacterial activities of these newly synthesized compounds were also evaluated and compared with linezolid and retapamulin. Results showed that most of the target compounds exhibit good potency in inhibiting the growth of Gram-positive bacteria including Methicillin-susceptible Staphylococcus aureus MSSA (MIC: 0.0625-2 mu g/mL), Methicillin-resistant S. aureus MRSA (MIC: 0.0625-2 mu g/mL), Methicillin-susceptible Staphylococcus epidermidis MSSE (MIC: 0.0625-2 mu g/mL), Methicillin-resistant S. epidermidis MRSE (MIC: 0.0625-2 mu g/mL), and Streptococcus pneumonia (MIC: 0.0625-4 mu g/mL). In particular, three remarkable compounds of this series (12l, 12m, and 21l) exhibited comparable in vitro antibacterial profiles to that of retapamulin. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.063

文献信息

• [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。
• PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US20170145007A1

  公开（公告）日：2017-05-25

  The present invention relates to a pyrimidine-2,4-diamine derivative or a pharmaceutically acceptable salt thereof, and a pharmaceutical composition for prevention or treatment of cancer comprising the same as an effective ingredient. A compound according to the present invention has the good effect of inhibiting anaplastic lymphoma kinase (ALK) activity, whereby a therapeutic effect on cancer cells having an anaplastic lymphoma kinase (ALK) fusion protein such as EML4-ALK, NPM-ALK, etc. can be enhanced and it is expected that a recurrence of cancer will be effectively inhibited. As such, the compound can be effectively used in a pharmaceutical composition for prevention or treatment of cancer.

  本发明涉及一种嘧啶-2,4-二胺衍生物或其药学上可接受的盐，以及包含该衍生物作为有效成分的用于预防或治疗癌症的药物组合物。根据本发明的化合物具有良好的抑制间变性淋巴瘤激酶（ALK）活性的效果，从而能够增强对含有间变性淋巴瘤激酶（ALK）融合蛋白（如EML4-ALK、NPM-ALK等）的癌细胞的治疗效果，并有望有效抑制癌症的复发。因此，该化合物可有效地用于预防或治疗癌症的药物组合物中。
• 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。
• 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer
  申请人：GlaxoSmithKline LLC

  公开号：US07981903B2

  公开（公告）日：2011-07-19

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

  式(I)所示的新型吡咯吡嗪化合物及其药学上可接受的衍生物。这些化合物可用于抑制IGF-1R。
• Pyrimidine-2,4-diamine derivative and anticancer pharmaceutical composition comprising same as effective ingredient
  申请人：KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY

  公开号：US10053458B2

  公开（公告）日：2018-08-21

  The present invention relates to a pyrimidine-2,4-diamine derivative or a pharmaceutically acceptable salt thereof, and a pharmaceutical composition for prevention or treatment of cancer comprising the same as an effective ingredient. A compound according to the present invention has the good effect of inhibiting anaplastic lymphoma kinase (ALK) activity, whereby a therapeutic effect on cancer cells having an anaplastic lymphoma kinase (ALK) fusion protein such as EML4-ALK, NPM-ALK, etc. can be enhanced and it is expected that a recurrence of cancer will be effectively inhibited. As such, the compound can be effectively used in a pharmaceutical composition for prevention or treatment of cancer.

  本发明涉及一种嘧啶-2,4-二胺衍生物或其药学上可接受的盐，以及一种预防或治疗癌症的药物组合物，该组合物作为有效成分包含嘧啶-2,4-二胺衍生物或其药学上可接受的盐。根据本发明的化合物具有抑制无性淋巴瘤激酶（ALK）活性的良好效果，从而可以增强对具有无性淋巴瘤激酶（ALK）融合蛋白（如 EML4-ALK、NPM-ALK 等）的癌细胞的治疗效果，并有望有效抑制癌症复发。因此，该化合物可有效地用于预防或治疗癌症的药物组合物中。