1,3,3-trimethyl-7-nitro-3,4-dihydroisoquinoline | 1373769-53-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢异喹啉
• 英文名称: 1,3,3-trimethyl-7-nitro-3,4-dihydroisoquinoline
• 英文别名: 1,3,3-trimethyl-7-nitro-4H-isoquinoline
• CAS: 1373769-53-9
• 化学式: C₁₂H₁₄N₂O₂
• 分子量: 218.255
• InChiKey: JPJJJRGPSZULTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  58.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3,3-trimethyl-7-nitro-3,4-dihydroisoquinoline 在 sodium tetrahydroborate 、 10 mol% palladium on carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 6.0h， 生成 1-(7-amino-1,3,3-trimethyl-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethan-1-one
  参考文献：
  名称：

  [EN] PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT
  [FR] DÉRIVÉS DE PYRAZOLOPYRIMIDINE, LEUR PROCÉDÉ DE PRÉPARATION ET COMPOSITION PHARMACEUTIQUE POUR UTILISATION DANS LA PRÉVENTION OU LE TRAITEMENT DU CANCER, D'UNE MALADIE AUTO-IMMUNE ET D'UNE MALADIE DU CERVEAU CONTENANT CEUX-CI EN TANT QUE PRINCIPE ACTIF

  摘要：

  本发明涉及一种吡唑并嘧啶衍生物，其制备方法以及包含该衍生物作为活性成分的药物组合物，用于预防或治疗癌症、自身免疫病和脑病。本发明的吡唑并嘧啶衍生物展现出卓越的布鲁顿酪氨酸激酶抑制活性，因此可以有效地用作预防或治疗癌症、自身免疫病和帕金森病的药物组合物。

  公开号：

  WO2018208132A1
• 作为产物：
  描述：

  二甲基苄基原醇 在 硫酸 、 potassium nitrate 作用下， 以 正己烷 为溶剂， 反应 8.5h， 生成 1,3,3-trimethyl-7-nitro-3,4-dihydroisoquinoline
  参考文献：
  名称：

  芳基取代二氢异喹啉衍生物硝酮抗菌活性的合成与评价

  摘要：

  本文描述了通过相应的恶氮丙啶异构化合成一系列二氢异喹啉硝酮。硝酮 4a-c 通过一种简单有效的方法从恶氮丙啶异构化中获得，收率高，纯度高。还评估了合成的化合物对革兰氏阳性和革兰氏阴性细菌和真菌的抗菌活性。

  DOI：

  10.1155/2015/803867

文献信息

• Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient
  申请人：Korea Research Institute of Chemical Technology

  公开号：US11084824B2

  公开（公告）日：2021-08-10

  The present invention relates to a pyrazolopyrimidine derivative, a preparation method thereof and a pharmaceutical composition comprising the same as an active ingredient for the prevention or treatment of cancer, autoimmune disease and brain disease. The pyrazolopyrimidine derivative of the present invention exhibits excellent Bruton's tyrosine kinase inhibition activity, so that it can be effectively used as a pharmaceutical composition for the prevention or treatment of cancer, autoimmune disease and Parkinson's disease.

  本发明涉及一种吡唑嘧啶衍生物、其制备方法以及以其为活性成分的药物组合物，用于预防或治疗癌症、自身免疫性疾病和脑部疾病。本发明的吡唑嘧啶衍生物具有优异的布鲁顿酪氨酸激酶抑制活性，因此可以有效地用作预防或治疗癌症、自身免疫性疾病和帕金森病的药物组合物。
• Acid-Promoted Oxygen-Atom Transfer from a Novel Dihydroisoquinoline-Derived Oxaziridine Substituted at Position 1
  作者：Majed Kammoun、Ridha Ben Salem、Mohamed Damak

  DOI：10.1080/00397911.2011.555050

  日期：2012.8.1

  N-Alkyl-oxaziridines react in the presence of a nucleophile as an oxygenating agent; in the absence of a nucleophile, an isomerization reaction is observed. This study describes the synthesis of two new dihydroisoquinoline oxaziridines and their reactivity in an acid-promoted reaction in the presence and absence of sulfides.
• PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT
  申请人：Korea Research Institute of Chemical Technology

  公开号：US20200199129A1

  公开（公告）日：2020-06-25

  The present invention relates to a pyrazolopyrimidine derivative, a preparation method thereof and a pharmaceutical composition comprising the same as an active ingredient for the prevention or treatment of cancer, autoimmune disease and brain disease. The pyrazolopyrimidine derivative of the present invention exhibits excellent Bruton's tyrosine kinase inhibition activity, so that it can be effectively used as a pharmaceutical composition for the prevention or treatment of cancer, autoimmune disease and Parkinson's disease.
• [EN] PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT<br/>[FR] DÉRIVÉS DE PYRAZOLOPYRIMIDINE, LEUR PROCÉDÉ DE PRÉPARATION ET COMPOSITION PHARMACEUTIQUE POUR UTILISATION DANS LA PRÉVENTION OU LE TRAITEMENT DU CANCER, D'UNE MALADIE AUTO-IMMUNE ET D'UNE MALADIE DU CERVEAU CONTENANT CEUX-CI EN TANT QUE PRINCIPE ACTIF
  申请人：KOREA RES INST CHEMICAL TECH

  公开号：WO2018208132A1

  公开（公告）日：2018-11-15

  The present invention relates to a pyrazolopyrimidine derivative, a preparation method thereof and a pharmaceutical composition comprising the same as an active ingredient for the prevention or treatment of cancer, autoimmune disease and brain disease. The pyrazolopyrimidine derivative of the present invention exhibits excellent Bruton's tyrosine kinase inhibition activity, so that it can be effectively used as a pharmaceutical composition for the prevention or treatment of cancer, autoimmune disease and Parkinson's disease.

  本发明涉及一种吡唑并嘧啶衍生物，其制备方法以及包含该衍生物作为活性成分的药物组合物，用于预防或治疗癌症、自身免疫病和脑病。本发明的吡唑并嘧啶衍生物展现出卓越的布鲁顿酪氨酸激酶抑制活性，因此可以有效地用作预防或治疗癌症、自身免疫病和帕金森病的药物组合物。
• Synthesis and Evaluation of Antimicrobial Activity of Nitrones from Derivatives of Aryl-Substituted Dihydroisoquinoline
  作者：Mouna Bouzid、Raed Abdennabi、Mohamed Damak、Majed Kammoun

  DOI：10.1155/2015/803867

  日期：——

  This paper describes the synthesis of a series of dihydroisoquinoline nitrones by isomerization of the corresponding oxaziridines. Nitrones 4a–c were obtained in excellent yields and high purity by a simple and effective method from the isomerization of oxaziridines. The synthesized compounds were also evaluated for their antibacterial activity against Gram-positive and Gram-negative bacteria and fungus

  本文描述了通过相应的恶氮丙啶异构化合成一系列二氢异喹啉硝酮。硝酮 4a-c 通过一种简单有效的方法从恶氮丙啶异构化中获得，收率高，纯度高。还评估了合成的化合物对革兰氏阳性和革兰氏阴性细菌和真菌的抗菌活性。