7-甲基-2,3,4,5-四氢-1H-苯并[e][1,4]二氮杂卓 | 422318-36-3

• 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-2,3,4,5-四氢-1H-苯并[e][1,4]二氮杂卓
• 英文名称: 7-Methyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
• 英文别名: 7-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
• CAS: 422318-36-3
• 化学式: C₁₀H₁₄N₂
• mdl: MFCD07369975
• 分子量: 162.235
• InChiKey: NJFPGSCEQVZTIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  24.1
• 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-2,3,4,5-四氢-1H-苯并[e][1,4]二氮杂卓 在 盐酸 、 TEA 、 sodium nitrite 作用下， 反应 24.0h， 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 、 lithium aluminium tetrahydride 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 生成 7-甲基-2,3,4,5-四氢-1H-苯并[e][1,4]二氮杂卓
  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

• PYRIDINES AND PYRIMIDINES AND USE THEREOF
  申请人：Purdue Pharma LP

  公开号：EP3097078B1

  公开（公告）日：2022-05-25
• [EN] THERAPEUTIC COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS THÉRAPEUTIQUES ET LEURS UTILISATIONS
  申请人：GENENTECH INC

  公开号：WO2017205536A2

  公开（公告）日：2017-11-30

  The present invention relates to compounds of formula (I) and formula (II): and to salts thereof, wherein R1-R4 of formula (I) and R5-R6 of formula (II) have any of the values defined herein, and compositions and uses thereof. The compounds are useful as inhibitors of CBP and/or EP300. Also included are pharmaceutical compositions comprising a compound of formula (I) of formula (II), or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various CBP and/or EP300-mediated disorders.
• 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.