N,N-dimethyl-N-[3-(7-methoxy-1-methyl-9H-b-carbolin-9-yl)-propyl]amine | 1061317-89-2

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: N,N-dimethyl-N-[3-(7-methoxy-1-methyl-9H-b-carbolin-9-yl)-propyl]amine
• 英文别名: N,N-dimethyl-3-(7-methoxy-1-methyl-β-carbolin-9-yl)propylamine；3-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine
• CAS: 1061317-89-2
• 化学式: C₁₈H₂₃N₃O
• 分子量: 297.4
• InChiKey: BPEIAKCMWQCCJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  30.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  肉叶云香碱 、 N,N-二甲基-3-氯丙胺 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 28.0h， 以84%的产率得到N,N-dimethyl-N-[3-(7-methoxy-1-methyl-9H-b-carbolin-9-yl)-propyl]amine
  参考文献：
  名称：

  使用天然产物支架作为寻找锥虫硫磷还原酶抑制剂的线索。

  摘要：

  评价了二十三种杂环化合物作为锥虫硫磷还原酶抑制剂的潜力。结果，已确定了harmaline，10-thiaisoalloxazine和Aspidospermine框架是克氏锥虫锥虫亚扑索还原酶抑制剂的基础。两种新化合物显示出中等强度的线性竞争抑制作用，即N，N-二甲基-N- [3-（7-甲氧基-1-甲基-3,4-二氢-9H-β-咔啉-9-基）丙基]胺（15）和1,3-双[3-（二甲基氨基）丙基] -1,5-二氢-2H-嘧啶基[4,5-b] [1,4]苯并噻嗪-2,4（3H）-二酮（21），其K（i）值分别为35.1 +/- 3.5microM和26.9 +/- 1.9microM。曲霉精（25）以64.6 +/- 6.2microM的K（i）抑制克氏锥虫TryR。这些化合物均不抑制谷胱甘肽还原酶。评估了它们对亚马逊利什曼原虫前鞭毛体的毒性。

  DOI：

  10.1016/j.bmc.2008.05.074

文献信息

• WO2019183245A5
  申请人：——

  公开号：WO2019183245A5

  公开（公告）日：2022-03-25
• ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH
  申请人：Osteoqc Inc.

  公开号：EP2968284A2

  公开（公告）日：2016-01-20
• KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE
  申请人：Icahn School of Medicine at Mount Sinai

  公开号：US20210094950A1

  公开（公告）日：2021-04-01

  Described herein are compounds having the following structure: formula (I) or a stereoisomer, pharmaceutically acceptable salt, oxide, or solvate thereof. Also disclosed are compositions containing the compounds, methods of inhibiting activity of DYRK1 A in a cell, methods of increasing cell proliferation in a population of pancreatic beta cells, methods of treating a subject for a condition associated with insufficient insulin secretion, and methods of treating a subject for a neurological disorder.
• [EN] ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH<br/>[FR] DÉRIVÉS D'ALKYL-AMINE HARMINE POUR FAVORISER LA CROISSANCE OSSEUSE
  申请人：OSSIFI INC

  公开号：WO2014153203A2

  公开（公告）日：2014-09-25

  In one aspect, the invention provides compounds of Formula I, and salts, hydrates and isomers thereof. In another aspect, the invention provides a method of promoting bone formation in a subject in need thereof by administering to the subject a therapeutically effective amount of a compound of Formula I, Formula II, or Formula III. The present invention also provides orthopedic and periodontal devices, as well as methods for the treatment of renal disease and cancer, using a compound of Formula I, Formula II, or Formula III.
• The use of natural product scaffolds as leads in the search for trypanothione reductase inhibitors
  作者：Betty C. Galarreta、Roxana Sifuentes、Angela K. Carrillo、Luis Sanchez、Maria del Rosario I. Amado、Helena Maruenda

  DOI：10.1016/j.bmc.2008.05.074

  日期：2008.7

  n-9-yl)propyl]am ine (15) and 1,3-bis[3-(dimethylamino)propyl]-1,5-dihydro-2H-pyrimido[4,5-b][1,4]benzothiazine -2,4(3H)-dione (21), with K(i) values of 35.1+/-3.5microM and 26.9+/-1.9microM, respectively. Aspidospermine (25) inhibited T. cruzi TryR with a K(i) of 64.6+/-6.2microM. None of the compounds inhibited glutathione reductase. Their toxicity toward promastigotes of Leishmania amazonensis was

  评价了二十三种杂环化合物作为锥虫硫磷还原酶抑制剂的潜力。结果，已确定了harmaline，10-thiaisoalloxazine和Aspidospermine框架是克氏锥虫锥虫亚扑索还原酶抑制剂的基础。两种新化合物显示出中等强度的线性竞争抑制作用，即N，N-二甲基-N- [3-（7-甲氧基-1-甲基-3,4-二氢-9H-β-咔啉-9-基）丙基]胺（15）和1,3-双[3-（二甲基氨基）丙基] -1,5-二氢-2H-嘧啶基[4,5-b] [1,4]苯并噻嗪-2,4（3H）-二酮（21），其K（i）值分别为35.1 +/- 3.5microM和26.9 +/- 1.9microM。曲霉精（25）以64.6 +/- 6.2microM的K（i）抑制克氏锥虫TryR。这些化合物均不抑制谷胱甘肽还原酶。评估了它们对亚马逊利什曼原虫前鞭毛体的毒性。