(S)-3-Methoxy-6-methyl-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: (S)-3-Methoxy-6-methyl-5,6,7,8-tetrahydro-10-thia-5,8-diaza-benzo[a]azulen-9-one
• 英文别名: (2S)-9-methoxy-2-methyl-1,2,3,4-tetrahydrobenzothiopheno[3,2-e][1,4]diazepin-5-one；(2S)-9-methoxy-2-methyl-1,2,3,4-tetrahydro-[1]benzothiolo[3,2-e][1,4]diazepin-5-one
• 化学式: C₁₃H₁₄N₂O₂S
• 分子量: 262.332
• InChiKey: SAOBRONRQPLGDZ-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  78.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-Isopropoxy-5-methoxy-1-oxo-1H-1λ⁴-benzo[b]thiophene-2-carboxylic acid methyl ester 、 alkaline earth salt of/the/ methylsulfuric acid 生成 (S)-3-Methoxy-6-methyl-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

• Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs
  申请人：Boehringer Ingelheim Pharma KG

  公开号：US20040058978A1

  公开（公告）日：2004-03-25

  The present invention relates to new substituted indolinones of general formula 1 wherein X and R 1 to R 5 are defined as in claim 1, the isomers and the salts thereof which have valuable properties. The above compounds of general formula I wherein R 1 denotes a hydrogen atom, a C 1-3 -alkyl group or a prodrug group have valuable pharmacological properties, particularly an inhibiting effect on various kinases, on viral cyclin and on receptor tyrosine kinases, and the other compounds of the above general formula I wherein R 1 does not represent a hydrogen atom, a C 1-3 -alkyl group or a prodrug group are valuable intermediate products for the preparation of the abovementioned compounds.

  本发明涉及一种新的通式1的取代吲哚酮，其中X和R1至R5的定义如权利要求书1中所述，其异构体和盐具有有价值的性质。通式I中的上述化合物，其中R1表示氢原子，C1-3-烷基或前药基，具有有价值的药理学性质，特别是对多种激酶、病毒细胞周期蛋白和受体酪氨酸激酶具有抑制作用，上述通式I中R1不表示氢原子、C1-3-烷基或前药基的其他化合物是制备上述化合物的有价值中间体。
• US6855710B2
  申请人：——

  公开号：US6855710B2

  公开（公告）日：2005-02-15
• [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.
• 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.