3-Methoxy-5-(3-methoxy-benzyl)-5,6,7,8-tetrahydro-10-thia-5,8-diaza-benzo[a]azulen-9-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烯杂卓类
• 英文名称: 3-Methoxy-5-(3-methoxy-benzyl)-5,6,7,8-tetrahydro-10-thia-5,8-diaza-benzo[a]azulen-9-one
• 英文别名: 9-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzothiopheno[3,2-e][1,4]diazepin-5-one；9-methoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one
• 化学式: C₂₀H₂₀N₂O₃S
• 分子量: 368.456
• InChiKey: KBTNDRYEFDZUNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  79
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-Methoxy-5,6,7,8-tetrahydro-10-thia-5,8-diaza-benzo[a]azulen-9-one 在 base 作用下， 生成 3-Methoxy-5-(3-methoxy-benzyl)-5,6,7,8-tetrahydro-10-thia-5,8-diaza-benzo[a]azulen-9-one
  参考文献：
  名称：

  Novel Benzthiodiazepinones as antiherpetic agents: SAR improvement of therapeutic index by alterations of the seven-membered ring

  摘要：

  A series of novel benzthiodiazepinones was studied as antiherpetic agents. Significant improvements in potency and therapeutic index in a viral replication assay were realized over the starting molecule. The role of stereospecific substitution on the diazepine ring and optimal nitrogen substitution were investigated. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00578-4

文献信息

• HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO 4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1601674A2

  公开（公告）日：2005-12-07
• Diazepinones as antiviral agents
  申请人：——

  公开号：US20040116410A1

  公开（公告）日：2004-06-17

  The invention is novel compounds of formula (I) which exhibit an improved therapeutic index and improved metabolic stability which are useful in the treatment and/or prevention of herpes viral infections. Novel intermediates useful in the synthesis of the final compounds are also part of the invention.
• [EN] DIAZEPINONES AS ANTIVIRAL AGENTS<br/>[FR] DIAZEPINONES UTILISEES COMME AGENTS ANTIVIRAUX
  申请人：WARNER LAMBERT CO

  公开号：WO2002014324A2

  公开（公告）日：2002-02-21

  The invention is novel compounds of formula (I) which exhibit an improved therapeutic index and improved metabolic stability which are useful in the treatment and/or prevention of herpes viral infections. Novel intermediates useful in the synthesis of the final compounds are also part of the invention.
• [EN] HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS<br/>[FR] DERIVES DE 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE A SUBSTITUTION HYDROXYALKYLE UTILES POUR TRAITER DES MALADIES ASSOCIEES AU RECEPTEUR ORL-1
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2004022558A2

  公开（公告）日：2004-03-18

  The present invention is directed to novel hydroxy alkyl substituted 1, 3, 8-triazaspiro[4.5]decan-4-one derivatives of the general formula: wherein all variables are as defined herein, useful in the treatment of disorders and conditions mediated by the ORL-1 G-protein coupled receptor. More particularly, the compounds of the present invention are useful in the treatment of disorders and conditions such as anxiety, depression, panic, dementia, mania, bipolar disorder, substance abuse, neuropathic pain, acute pain, chronic pain migraine, asthma, cough, psychosis, schizophrenia, epilepsy, hypertension, obesity, eating disorders, cravings, diabetes, cardiac arrhythmia, irritable bowel syndrome, Crohn's disease, urinary incontinence, adrenal disorders, attention deficit disorder (ADD), attention deficit hyperactivity disorder (ADHD), Alzheimer's disease, for improved cognition or memory and for mood stabilization.
• Novel Benzthiodiazepinones as antiherpetic agents: SAR improvement of therapeutic index by alterations of the seven-membered ring
  作者：Harriet W Hamilton、Gisele Nishiguchi、Susan E Hagen、John D Domagala、Peter C Weber、Stephen Gracheck、Stefanie L Boulware、Eric C Nordby、Hidetsura Cho、Takeshi Nakamura、Satoru Ikeda、Wataru Watanabe

  DOI：10.1016/s0960-894x(02)00578-4

  日期：2002.10

  A series of novel benzthiodiazepinones was studied as antiherpetic agents. Significant improvements in potency and therapeutic index in a viral replication assay were realized over the starting molecule. The role of stereospecific substitution on the diazepine ring and optimal nitrogen substitution were investigated. (C) 2002 Elsevier Science Ltd. All rights reserved.