4H-Indol-4-one, 2,3-diethyl-1,5,6,7-tetrahydro-1-methyl- | 916336-91-9

• 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: 4H-Indol-4-one, 2,3-diethyl-1,5,6,7-tetrahydro-1-methyl-
• CAS: 916336-91-9
• 化学式: C₁₃H₁₉NO
• 分子量: 205.3
• InChiKey: IGBREHHRJIYSMU-UHFFFAOYSA-N

物化性质

• 沸点：
  348.4±31.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  22.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4H-Indol-4-one, 2,3-diethyl-1,5,6,7-tetrahydro-1-methyl- 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Discovery and synthesis of tetrahydroindolone derived semicarbazones as selective Kv1.5 blockers

  摘要：

  A novel class of tetrahydroindolone-derived semicarbazones has been discovered as potent Kv 1.5 blockers. in in vitro studies, several compounds exhibited very good potency for blockade of Kv 1.5. Compound 8i showed good selectivity for blockade of Kv1.5 vs hERG and L-type calcium channels. In an anesthetized pig model, compounds 8i and 10c increased atrial ERP about 28%, 18%, respectively, in the right atrium without affecting ventricular ERP. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.057
• 作为产物：
  描述：

  4-(hydroxyimino)hexan-3-one 在 sodium hydride 、 溶剂黄146 、 锌 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.5h， 生成 4H-Indol-4-one, 2,3-diethyl-1,5,6,7-tetrahydro-1-methyl-
  参考文献：
  名称：

  Discovery and synthesis of tetrahydroindolone derived semicarbazones as selective Kv1.5 blockers

  摘要：

  A novel class of tetrahydroindolone-derived semicarbazones has been discovered as potent Kv 1.5 blockers. in in vitro studies, several compounds exhibited very good potency for blockade of Kv 1.5. Compound 8i showed good selectivity for blockade of Kv1.5 vs hERG and L-type calcium channels. In an anesthetized pig model, compounds 8i and 10c increased atrial ERP about 28%, 18%, respectively, in the right atrium without affecting ventricular ERP. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.057

文献信息

• Discovery and synthesis of tetrahydroindolone-derived carbamates as Kv1.5 blockers
  作者：Andrew Fluxe、Shengde Wu、James B. Sheffer、John M. Janusz、Michael Murawsky、Gina M. Fadayel、Bin Fang、Michelle Hare、Laurent Djandjighian

  DOI：10.1016/j.bmcl.2006.08.059

  日期：2006.11

  A novel class of tetrahydroindolone-derived carbarnates has been discovered whose members are potent Kv1.5 blockers. The in vitro data show that compounds 6 and 29 are quite potent. They are also very selective over hERG (> 450-fold) and L-type calcium channels (> 450-fold). (c) 2006 Elsevier Ltd. All rights reserved.