4-吗啉代苄胺盐酸盐 | 1106986-47-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 4-吗啉代苄胺盐酸盐
• 英文名称: 4-morpholinobenzylamine hydrochloride
• 英文别名: (4-morpholinophenyl)methanamine hydrochloride；(4-morpholin-4-ylphenyl)methanamine;hydrochloride
• CAS: 1106986-47-3
• 化学式: C₁₁H₁₆N₂O*ClH
• 分子量: 228.722
• InChiKey: OBPSVZJTAZJLLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  38.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4-吗啉代苄胺盐酸盐 、 methyl (1R,3R)-1-(3,4-methylenedioxyphenyl)-2-chloroacetyl-2,3,4,9-tetrahydro-9H-pyrido[3,4-b]indol-3-carboxylate 在 三乙胺 作用下， 以 甲醇 为溶剂， 以57%的产率得到(6R,12aR)-6-benzo[1,3]dioxol-5-yl-2-(4-morpholin-4-ylbenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido-[3,4-b]indole-1,4-dione
  参考文献：
  名称：

  Drug to Genome to Drug: Discovery of New Antiplasmodial Compounds

  摘要：

  The dominant strategy for discovery of new antimalarial drugs relies on cell-free assays on specific biochemical pathways of Plasmodium falciparum . However, it appears that screening directly on the parasite is a more rewarding approach. The "drug to genome to drug" approach consists of testing a small set of structural analogues of a drug acting on human proteins that have plasmodial orthologues. Both man and plasmodium possess cyclic nucleotide phosphodiesterases (PDEs) that are key players of cell homeostasis. We synthesized and tested 40 analogues of tadalafil, a human PDE5 inhibitor, on P. falciparum in culture and obtained potent inhibitors of parasite growth. We discuss the structure-activity relationships, which support the hypothesis that our compounds kill the parasite via inhibition of plasmodial PDE activity. We also prove that antiplasmodial derivatives inhibit the hydrolysis of cyclic nucleotides of the parasite, validating the cAMP/cGMP pathways as therapeutic targets against Plasmodium falciparum .

  DOI：

  10.1021/jm1014617
• 作为产物：
  描述：

  t-butyl 4-morpholinobenzylcarbamate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 2.0h， 生成 4-吗啉代苄胺盐酸盐
  参考文献：
  名称：

  SUBSTITUTED SULFONAMIDE COMPOUNDS

  摘要：

  磺胺取代物，其制备方法，含有这些化合物的药物组合物，以及磺胺取代物在治疗或抑制疼痛和/或各种疾病或疾病状态中的用途。

  公开号：

  US20080153843A1