7-甲基-3,4-二氢-1H-苯并[e][1,4]二氮杂卓-2,5-二酮 | 422318-46-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 中文名称: 7-甲基-3,4-二氢-1H-苯并[e][1,4]二氮杂卓-2,5-二酮
• 英文名称: 7-Methyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione
• 英文别名: 7-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
• CAS: 422318-46-5
• 化学式: C₁₀H₁₀N₂O₂
• mdl: MFCD09991728
• 分子量: 190.202
• InChiKey: JJFCBBTZUGKHOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  7-甲基-3,4-二氢-1H-苯并[e][1,4]二氮杂卓-2,5-二酮 在 盐酸 、 lithium aluminium tetrahydride 、 TEA 、 sodium nitrite 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 生成 1-(7-Methyl-1-nitroso-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-ethanone
  参考文献：
  名称：

  Cycloalkyl[b][1,4]benzodiazepinoindoles are agonists at the human 5-HT2C receptor

  摘要：

  Evaluation of selected compounds from our Corporate Compound Library in a human 5-HT2C receptor binding assay led to the discovery of WAY-629, a cyclohexyl[b][1,4]benzodiazepinoindole (K-i 56nM, E-max 90%), which is selective for the 5-HT2C receptor versus other serotonin receptor subtypes, and dopamine, histamine, adrenergic, and muscarinic receptors. In addition, WAY-629 was active in vivo in a rat model of feeding behavior. An SAR study based on WAY-629 led to compound 11 (K-i 13 nM, E-max 102%). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.100
• 作为产物：
  描述：

  6-甲基靛红酸酐 在 吡啶 、 溶剂黄146 作用下， 反应 48.0h， 生成 7-甲基-3,4-二氢-1H-苯并[e][1,4]二氮杂卓-2,5-二酮
  参考文献：
  名称：

  Cycloalkyl[b][1,4]benzodiazepinoindoles are agonists at the human 5-HT2C receptor

  摘要：

  Evaluation of selected compounds from our Corporate Compound Library in a human 5-HT2C receptor binding assay led to the discovery of WAY-629, a cyclohexyl[b][1,4]benzodiazepinoindole (K-i 56nM, E-max 90%), which is selective for the 5-HT2C receptor versus other serotonin receptor subtypes, and dopamine, histamine, adrenergic, and muscarinic receptors. In addition, WAY-629 was active in vivo in a rat model of feeding behavior. An SAR study based on WAY-629 led to compound 11 (K-i 13 nM, E-max 102%). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.100

文献信息

• Cycloalkyl[b][1,4]benzodiazepinoindoles are agonists at the human 5-HT2C receptor
  作者：Annmarie L. Sabb、Robert L. Vogel、Gregory S. Welmaker、Joan E. Sabalski、Joseph Coupet、John Dunlop、Sharon Rosenzweig-Lipson、Boyd Harrison

  DOI：10.1016/j.bmcl.2004.02.100

  日期：2004.5

  Evaluation of selected compounds from our Corporate Compound Library in a human 5-HT2C receptor binding assay led to the discovery of WAY-629, a cyclohexyl[b][1,4]benzodiazepinoindole (K-i 56nM, E-max 90%), which is selective for the 5-HT2C receptor versus other serotonin receptor subtypes, and dopamine, histamine, adrenergic, and muscarinic receptors. In addition, WAY-629 was active in vivo in a rat model of feeding behavior. An SAR study based on WAY-629 led to compound 11 (K-i 13 nM, E-max 102%). (C) 2004 Elsevier Ltd. All rights reserved.