2-(2,4-dioxopyrimidyl)methyl-1,2,3,4-tetrahydroisoquinoline | 145474-55-1

• 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: 2-(2,4-dioxopyrimidyl)methyl-1,2,3,4-tetrahydroisoquinoline
• 英文别名: 6-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)pyrimidine-2,4(1H,3H)-dione；6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-pyrimidine-2,4-dione
• CAS: 145474-55-1
• 化学式: C₁₄H₁₅N₃O₂
• 分子量: 257.292
• InChiKey: ZLLYUBPJRWUTHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  61.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2,4-dioxopyrimidyl)methyl-1,2,3,4-tetrahydroisoquinoline 在 氨 、 三氯氧磷 作用下， 以 异丙醇 为溶剂， 反应 36.0h， 生成 6-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
  参考文献：
  名称：

  [EN] HETEROARYL COMPOUNDS AND THEIR USE
  [FR] COMPOSÉS HÉTÉROARYLE ET LEUR UTILISATION

  摘要：

  该申请涉及式(I)的化合物及其盐和溶剂合物，其中R1、R2、R3、A1、A2、A3和n如规范中所述，以及它们的制备方法，包含它们的药物组合物，以及用于治疗和/或预防溶酶体贮积病（如高雪氏病）和其他α-突触核蛋白病的用途。

  公开号：

  WO2018122775A1
• 作为产物：
  描述：

  四氢异喹啉 、 尿嘧啶-6-甲醛单水合物 在 溶剂黄146 、 sodium cyanoborohydride 作用下， 以 甲醇 、 1,2-二氯乙烷 为溶剂， 反应 18.0h， 以14.5%的产率得到2-(2,4-dioxopyrimidyl)methyl-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  [EN] HETEROARYL COMPOUNDS AND THEIR USE
  [FR] COMPOSÉS HÉTÉROARYLE ET LEUR UTILISATION

  摘要：

  该申请涉及式(I)的化合物及其盐和溶剂合物，其中R1、R2、R3、A1、A2、A3和n如规范中所述，以及它们的制备方法，包含它们的药物组合物，以及用于治疗和/或预防溶酶体贮积病（如高雪氏病）和其他α-突触核蛋白病的用途。

  公开号：

  WO2018122775A1

文献信息

• Heteroaryl compounds and their use
  申请人：Minoryx Therapeutics S.L.

  公开号：US11174242B2

  公开（公告）日：2021-11-16

  The application is directed to compounds of formula (I): and their salts and solvates, wherein R1, R2, R3, A1, A2, A3, and n are as set forth in the specification, as well as to a method for their preparation, pharmaceutical compositions comprising the same, and use thereof for the treatment and/or prevention of a lysosomal storage disease, such as Gaucher's, and other diseases or disorders that are synucleinopathies.

  本申请涉及式（I）化合物：及其盐类和溶解物，其中 R1、R2、R3、A1、A2、A3 和 n 如说明书所述，还涉及其制备方法、包含这些化合物的药物组合物，以及将其用于治疗和/或预防溶酶体贮积疾病（如戈谢病）和属于突触核蛋白病的其他疾病或紊乱的用途。
• XYZH systems as potential 1,3-dipoles. Part 36. 1,5-Electrocyclisation processes via oxidation of tertiary amines. Pyrrolo-dihydroisoquinolines and -dihydro-β-carbolines.
  作者：Ronald Grigg、Peter Myers、Anoma Somasunderam、Visuvanathar Sridharan

  DOI：10.1016/s0040-4020(01)81190-x

  日期：1992.1

  A range of tertiary N-allylamines derived from 1,2,3,4-tetrahydroisoquinoline undergo oxidative cyclisation, induced by Ag2CO3, to pyrrolo-dihydroisoquinolines in moderate to good yield. Analogous oxidative cyclisations are reported for N-allyl-tetrahydro-beta-carbolines and a pyrrolidine. The reactions proceed via formation of a 1,5-dipole followed by an electrocyclisation and subsequent aromatisation.
• HETEROARYL COMPOUNDS AND THEIR USE
  申请人：Minoryx Therapeutics S.L.

  公开号：US20190337922A1

  公开（公告）日：2019-11-07

  The application is directed to compounds of formula (I): and their salts and solvates, wherein R 1 , R 2 , R 3 , A 1 , A 2 , A 3 , and n are as set forth in the specification, as well as to a method for their preparation, pharmaceutical compositions comprising the same, and use thereof for the treatment and/or prevention of a lysosomal storage disease, such as Gaucher's, and other diseases or disorders that are synucleinopathies.
• [EN] HETEROARYL COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS HÉTÉROARYLE ET LEUR UTILISATION
  申请人：MINORYX THERAPEUTICS S L

  公开号：WO2018122775A1

  公开（公告）日：2018-07-05

  The application is directed to compounds of formula (I): and their salts and solvates, wherein R1, R2, R3, A1, A2, A3, and n are as set forth in the specification, as well as to a method for their preparation, pharmaceutical compositions comprising the same, and use thereof for the treatment and/or prevention of a lysosomal storage disease, such as Gaucher's, and other diseases or disorders that are synucleinopathies.

  该申请涉及式(I)的化合物及其盐和溶剂合物，其中R1、R2、R3、A1、A2、A3和n如规范中所述，以及它们的制备方法，包含它们的药物组合物，以及用于治疗和/或预防溶酶体贮积病（如高雪氏病）和其他α-突触核蛋白病的用途。