1,2,3,4,6,7,12,12b-octahydropyrazino<1',2':1,2>pyrido<3,4-b>indole | 97380-00-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1,2,3,4,6,7,12,12b-octahydropyrazino<1',2':1,2>pyrido<3,4-b>indole
• 英文别名: 1,2,3,4,6,7,12,12b-Octahydro-2-azaindolo<2,3-a>chinolizin；1,2,3,4,6,7,12,12b-octahydro-pyrazino[1',2':1,2]pyrido[3,4-b]indole；4,7,17-Triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene；4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene
• CAS: 97380-00-2
• 化学式: C₁₄H₁₇N₃
• 分子量: 227.309
• InChiKey: PEBXXUXZFDDBCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  31.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  甲基磺酰氯 、 1,2,3,4,6,7,12,12b-octahydropyrazino<1',2':1,2>pyrido<3,4-b>indole 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 17.0h， 以58%的产率得到2-methylsulphonyl-1,2,3,4,6,7,12,12b-octahydropyrazino<1',2':1,2>pyrido<3,4-b>indole
  参考文献：
  名称：

  Synthesis and hypotensive activities of octahydropyrazino[1′,2′:1,2]pyrido[3,4-b]indoles and 15-azayohimbanes

  摘要：

  The hypotensive activities in rats of indolic compounds 1-9 were compared with that of reserpine. In spite of differences in their structure, all 9 showed similar hypotensive activities to that of reserpine. New octahydropyrazinopyridoindoles 3-6 and the tetrahydro-beta-carboline 7 were synthesized.

  DOI：

  10.1016/0223-5234(94)90114-7
• 作为产物：
  描述：

  2,3,6,7,12,12b-Hexahydro-1H-pyrazino[1',2':1,2]pyrido[3,4-b]indol-4-one 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以87%的产率得到1,2,3,4,6,7,12,12b-octahydropyrazino<1',2':1,2>pyrido<3,4-b>indole
  参考文献：
  名称：

  Synthesis and hypotensive activities of octahydropyrazino[1′,2′:1,2]pyrido[3,4-b]indoles and 15-azayohimbanes

  摘要：

  The hypotensive activities in rats of indolic compounds 1-9 were compared with that of reserpine. In spite of differences in their structure, all 9 showed similar hypotensive activities to that of reserpine. New octahydropyrazinopyridoindoles 3-6 and the tetrahydro-beta-carboline 7 were synthesized.

  DOI：

  10.1016/0223-5234(94)90114-7

文献信息

• NMR spectroscopy of hexa- and octahydropyrazino [1′, 2′ : 1,2]pyrido [3,4-b]indoles and 15-azayohimbanes
  作者：Nativitat Valls、Victor M. Segarra、Josep Bonjoch

  DOI：10.1002/mrc.1260291003

  日期：1991.10

  The 1H (200 MHz) and 13C (50.3 MHz) NMR spectra of some hexa‐ and octahydropyrazino[1′, 2′ : 1,2]pyrido‐[3,4‐b]indoles (1–13), 15‐azayohimbanes (15–18), and related compounds (14, 19, 20) are reported. The data have been analyzed in terms of the preferred conformation (9–13, 15–20) and configuration (15–20).

  一些六氢和八氢吡嗪并 [1', 2' : 1,2] pyrido-[3,4-b]indoles (1-13), 15-azayohimbanes 的 1H (200 MHz) 和 13C (50.3 MHz) NMR 光谱(15–18) 和相关化合物 (14, 19, 20) 被报道。已根据首选构象 (9–13, 15–20) 和构型 (15–20) 对数据进行了分析。
• Synthesis and hypotensive activities of octahydropyrazino[1′,2′:1,2]pyrido[3,4-b]indoles and 15-azayohimbanes
  作者：N VALLS、V SEGARRA、A TOST、G ROSELL

  DOI：10.1016/0223-5234(94)90114-7

  日期：——

  The hypotensive activities in rats of indolic compounds 1-9 were compared with that of reserpine. In spite of differences in their structure, all 9 showed similar hypotensive activities to that of reserpine. New octahydropyrazinopyridoindoles 3-6 and the tetrahydro-beta-carboline 7 were synthesized.