BL-1021盐酸盐 | 1002331-76-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 中文名称: BL-1021盐酸盐
• 英文名称: BL-1021 hydrochloride
• 英文别名: 10,11-dihydro-5-(3-methylamonipropylidene)-5H-dibenzo-[1,4]cycloheptene 4-amino-N-butaneamide hydrochloride；BL-1021；[4-[Methyl-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]amino]-4-oxobutyl]azanium;chloride
• CAS: 1002331-76-1
• 化学式: C₂₃H₂₈N₂O*ClH
• 分子量: 384.949
• InChiKey: DEKZAWRGNGHZKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.23
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  46.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  tert-butyl 3-((10,11-dihydro-5H-dibenzo[a,d]cycloheptene-5-yllidene)-N-methylcarbamoyl)propylcarbamate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 4.0h， 生成 BL-1021盐酸盐
  参考文献：
  名称：

  γ-Aminobutyric Acid Amides of Nortriptyline and Fluoxetine Display Improved Pain Suppressing Activity

  摘要：

  The GABA amides of the antidepressants nortriptyline and fluoxetine, 1 and 2, were compared to their respective parent compounds in rodent models of pain. The amides significantly reduced early nociceptive and late inflammatory responses compared to nortriptyline or fluoxetine, where 1 exhibited overall better efficacy than 2. Amide 1 was most efficacious in lowering cytokine secretion, edema and hyperalgesia induced by formalin and lambda-carrageenan, respectively. Thus, 1 is a promising candidate for the treatment of pain.

  DOI：

  10.1021/jm900143u

文献信息

• J. Med. Chem. 2009, 52, 3010-3017
  作者：

  DOI：——

  日期：——
• γ-Aminobutyric Acid Amides of Nortriptyline and Fluoxetine Display Improved Pain Suppressing Activity
  作者：Ada Rephaeli、Irit Gil-Ad、Ana Aharoni、Igor Tarasenko、Nataly Tarasenko、Yona Geffen、Efrat Halbfinger、Yotam Nisemblat、Abraham Weizman、Abraham Nudelman

  DOI：10.1021/jm900143u

  日期：2009.5.14

  The GABA amides of the antidepressants nortriptyline and fluoxetine, 1 and 2, were compared to their respective parent compounds in rodent models of pain. The amides significantly reduced early nociceptive and late inflammatory responses compared to nortriptyline or fluoxetine, where 1 exhibited overall better efficacy than 2. Amide 1 was most efficacious in lowering cytokine secretion, edema and hyperalgesia induced by formalin and lambda-carrageenan, respectively. Thus, 1 is a promising candidate for the treatment of pain.