tert-butyl 6-amino-7-methoxy-3,4-dihydroisoquinolin-2(1H)-carboxylate | 1390657-69-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: tert-butyl 6-amino-7-methoxy-3,4-dihydroisoquinolin-2(1H)-carboxylate
• 英文别名: tert-butyl-6-amino-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate；tert-butyl 6-amino-7-methoxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate；tert-butyl 6-amino-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate；tert-butyl 6-amino-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
• CAS: 1390657-69-8
• 化学式: C₁₅H₂₂N₂O₃
• 分子量: 278.351
• InChiKey: MERMEQJSIJALMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  423.4±45.0 °C(Predicted)
• 密度：
  1.155±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 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：

  tert-butyl 6-amino-7-methoxy-3,4-dihydroisoquinolin-2(1H)-carboxylate 在 四(三苯基膦)钯 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 35.0h， 生成 7-(2,6-dichlorobenzyl)-5-[(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrido[3,4-d]pyridazin-4(3H)-one
  参考文献：
  名称：

  [EN] BICYCLIC INHIBITORS OF ALK
  [FR] INHIBITEURS BICYCLIQUES DE L'ALK

  摘要：

  本发明涉及公式（1）的化合物或药用可接受的盐，其中R1、X、Y、Z、A、B、G1和n在描述中有定义。本发明还涉及含有上述化合物的组合物，用于抑制蛋白激酶如ALK并治疗癌症等疾病的方法。

  公开号：

  WO2012097682A1
• 作为产物：
  描述：

  7-甲氧基-3,4-二氢-2H-异喹啉-1-酮 在 Raney Nickel lithium aluminium tetrahydride 、 氢气 、 硝酸 、 乙酸酐 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 硝基甲烷 、 二氯甲烷 为溶剂， 反应 37.5h， 生成 tert-butyl 6-amino-7-methoxy-3,4-dihydroisoquinolin-2(1H)-carboxylate
  参考文献：
  名称：

  [EN] BICYCLIC INHIBITORS OF ALK
  [FR] INHIBITEURS BICYCLIQUES DE L'ALK

  摘要：

  本发明涉及公式（1）的化合物或药用可接受的盐，其中R1、X、Y、Z、A、B、G1和n在描述中有定义。本发明还涉及含有上述化合物的组合物，用于抑制蛋白激酶如ALK并治疗癌症等疾病的方法。

  公开号：

  WO2012097682A1

文献信息

• 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。
• BICYCLIC INHIBITORS OF ALK
  申请人：Vasudevan Anil

  公开号：US20140155389A1

  公开（公告）日：2014-06-05

  The present invention relates to compounds of formula (1) or pharmaceutical acceptable salts, wherein R 1 , X, Y, Z, A, B, G 1 , and n are defined in the description. The present invention relates also to compositions containing said compounds which are useful for inhibiting kinases such as ALK and methods of treating diseases such as cancer.

  本发明涉及公式（1）的化合物或药物可接受的盐，其中R1、X、Y、Z、A、B、G1和n在说明书中有定义。本发明还涉及含有所述化合物的组合物，其对抑制激酶如ALK具有用处，以及用于治疗癌症等疾病的方法。
• Aniline Type Compounds
  申请人：Koerber Karsten

  公开号：US20140155451A1

  公开（公告）日：2014-06-05

  The present invention relates to compounds of the formula (I) wherein R 1 and R 2 independently of one another are hydrogen, C 1 -C 10 -alkyl, C 1 -C 10 -haloalkyl, C 3 -C 10 -cycloalkyl, C 3 -C 10 -halocycloalkyl, C 2 -C 10 -alkenyl, C 2 -C 10 -haloalkenyl or together represent an aliphatic chain, or the like; R 3 is halogen, cyano, C 1 -C 8 -alkyl, C 1 -C 8 -haloalkyl, C 3 -C 8 -cycloalkyl, C 3 -C 8 -halocycloalkyl, C 2 -C 8 -alkenyl, C 2 -C 8 -haloalkenyl, C 1 -C 8 -alkoxy, phenyl, or the like; R 4 is hydrogen, C 1 -C 10 -alkyl, C 1 -C 10 -haloalkyl, C 3 -C 8 -cycloalkyl, C 3 -C 8 -halocycloalkyl, C 2 -C 10 -alkenyl, C 2 -C 10 -haloalkenyl, phenyl, or the like; t is 0 or 1; p is 0, 1, 2, 3 or 4. The present invention also relates to a process for preparing a compound of the formula (I) which comprises reacting a compound of the formula II with a compound of the formulae III or IV: where t, p, R 1 R 3 , R 3 and R 4 are as defined in any of claims 1 to 6 and where A − is an equivalent of an anion having a pK B of at least 10 (determined under standard conditions in water).

  本发明涉及式(I)的化合物，其中R1和R2独立地是氢，C1-C10-烷基，C1-C10-卤代烷基，C3-C10-环烷基，C3-C10-卤代环烷基，C2-C10-烯基，C2-C10-卤代烯基或一起代表脂肪链等；R3是卤素，氰基，C1-C8-烷基，C1-C8-卤代烷基，C3-C8-环烷基，C3-C8-卤代环烷基，C2-C8-烯基，C2-C8-卤代烯基，C1-C8-烷氧基，苯基或类似物；R4是氢，C1-C10-烷基，C1-C10-卤代烷基，C3-C8-环烷基，C3-C8-卤代环烷基，C2-C10-烯基，C2-C10-卤代烯基，苯基或类似物；t为0或1；p为0、1、2、3或4。本发明还涉及一种制备式(I)化合物的方法，该方法包括将式II的化合物与式III或IV的化合物反应：其中t、p、R1、R3、R3和R4如权利要求1至6中的任何一项中所定义，A-是至少具有10的pKB（在水中标准条件下测定）的阴离子当量。
• CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY
  申请人：CERULEAN PHARMA INC.

  公开号：US20130131013A1

  公开（公告）日：2013-05-23

  The present invention relates to novel compositions of therapeutic cyclodextrin containing polymeric compounds designed as a carrier for small molecule therapeutics delivery and pharmaceutical compositions thereof. These cyclodextrin-containing polymers improve drug stability and solubility, and reduce toxicity of the small molecule therapeutic when used in vivo. Furthermore, by selecting from a variety of linker groups and targeting ligands the polymers present methods for controlled delivery of the therapeutic agents. The invention also relates to methods of treating subjects with the therapeutic compositions described herein. The invention further relates to methods for conducting pharmaceutical business comprising manufacturing, licensing, or distributing kits containing or relating to the polymeric compounds described herein.

  本发明涉及一种新的治疗环糊精含聚合物组成物，作为小分子治疗药物的载体，并且其制药组成物。这些含环糊精聚合物可以提高药物稳定性和溶解度，并在体内使用时减少小分子治疗药物的毒性。此外，通过从多种连接基团和靶向配体中选择聚合物，可以提供治疗剂的控制释放方法。本发明还涉及使用上述治疗组成物治疗受试者的方法。本发明还涉及进行制药业务的方法，包括制造、许可或分发包含或涉及本文所述聚合物化合物的试剂盒。
• 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。