8-(4-tert-Butoxycarbonyl-piperazin-1-yl)-6-methoxy-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid benzyl ester | 945216-94-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 8-(4-tert-Butoxycarbonyl-piperazin-1-yl)-6-methoxy-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid benzyl ester
• 英文别名: Benzyl 6-methoxy-8-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2,3-dihydro-1,4-benzoxazine-4-carboxylate
• CAS: 945216-94-4
• 化学式: C₂₆H₃₃N₃O₆
• 分子量: 483.565
• InChiKey: RXBOGACBDCTJOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  80.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  8-(4-tert-Butoxycarbonyl-piperazin-1-yl)-6-methoxy-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid benzyl ester 在 palladium on activated charcoal 吡啶 、 氢气 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  3,4-Dihydro-2H-benzo[1,4]oxazine derivatives as 5-HT6 receptor antagonists

  摘要：

  A series of novel 3,4-dihydro-2H-benzo[1,4]oxazine derivatives has been designed and synthesized as 5-HT6 receptor antagonists. Many of the compounds displayed subnanomolar affinities for the 5-HT6 receptor and good brain penetration in rats. The relationship of structure and lipophilicity to hERG inhibition of this series of compounds is discussed. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.093
• 作为产物：
  描述：

  8-bromo-6-methoxy-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid benzyl ester 、 N-Boc-哌嗪 在 tris(dibenzylideneacetone)dipalladium (0) R-(+)-1,1'-联萘-2,2'-双二苯膦 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 生成 8-(4-tert-Butoxycarbonyl-piperazin-1-yl)-6-methoxy-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid benzyl ester
  参考文献：
  名称：

  3,4-Dihydro-2H-benzo[1,4]oxazine derivatives as 5-HT6 receptor antagonists

  摘要：

  A series of novel 3,4-dihydro-2H-benzo[1,4]oxazine derivatives has been designed and synthesized as 5-HT6 receptor antagonists. Many of the compounds displayed subnanomolar affinities for the 5-HT6 receptor and good brain penetration in rats. The relationship of structure and lipophilicity to hERG inhibition of this series of compounds is discussed. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.093

文献信息

• Benzoxazine derivatives and uses thereof
  申请人：Roche Palo Alto LLC

  公开号：US20030232825A1

  公开（公告）日：2003-12-18

  The present invention provides a compound of the formula: 1 a pharmaceutically acceptable salt or a prodrug thereof, where R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , Y, Z 1 , m, n, and p are as defined herein. The present invention also provides compositions comprising, methods for using, and methods for preparing Compound of Formula I.

  本发明提供了一个公式的化合物：1a药学上可接受的盐或其前药，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、Y、Z1、m、n和p如本文所定义。本发明还提供了包含该化合物的组合物、使用方法以及制备公式I化合物的方法。
• BENZOXAZINE DERIVATIVES AND USES THEREOF
  申请人：Berger Jacob

  公开号：US20130123251A1

  公开（公告）日：2013-05-16

  The present invention provides a compound of the formula: a pharmaceutically acceptable salt or a prodrug thereof, where R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , Y, Z 1 , m, n, and p are as defined herein. The present invention also provides compositions comprising, methods for using, and methods for preparing Compound of Formula I.

  本发明提供了一种公式化合物：其为药物可接受的盐或其前药，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、Y、Z1、m、n和p的定义如本文所述。本发明还提供了包含该化合物的组合物、使用该化合物的方法和制备公式I化合物的方法。
• BENZOXAZINE DERIVATIVES AS 5-HT6 MODULATORS AND USES THEREOF
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1506179A1

  公开（公告）日：2005-02-16
• US6867204B2
  申请人：——

  公开号：US6867204B2

  公开（公告）日：2005-03-15
• US8377931B2
  申请人：——

  公开号：US8377931B2

  公开（公告）日：2013-02-19