[2-Bromo-4-(4-bromo-butyl)-phenyl]-carbamic acid ethyl ester | 866403-64-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2-Bromo-4-(4-bromo-butyl)-phenyl]-carbamic acid ethyl ester
• 英文别名: ethyl N-[2-bromo-4-(4-bromobutyl)phenyl]carbamate
• CAS: 866403-64-7
• 化学式: C₁₃H₁₇Br₂NO₂
• 分子量: 379.091
• InChiKey: FGQGYFVVEFVFLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [2-Bromo-4-(4-bromo-butyl)-phenyl]-carbamic acid ethyl ester 在 四(三苯基膦)钯 、 phosphorus pentoxide 、 sodium carbonate 、 三氯氧磷 作用下， 以 乙二醇二甲醚 为溶剂， 生成 2-(4-Bromo-butyl)-5H-phenanthridin-6-one
  参考文献：
  名称：

  4-Phenyl-1,2,3,6-tetrahydropyridine, an excellent fragment to improve the potency of PARP-1 inhibitors

  摘要：

  We have shown that a 4-phenyl-1,2,3,6-tetrahydropyridine fragment plays an important role in improving inhibitory potency against poly(ADP-ribose) polymerise-1 (PARP-1). Various benzamide analogues linked with this fragment via alkyl spacers have been prepared and evaluated. As a result, some of them have been found to be highly potent PARP-1 inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.094
• 作为产物：
  描述：

  [4-(4-Hydroxy-butyl)-phenyl]-carbamic acid ethyl ester 在 溴 、 sodium acetate 、 三溴化磷 、 溶剂黄146 作用下， 以 乙酸乙酯 为溶剂， 生成 [2-Bromo-4-(4-bromo-butyl)-phenyl]-carbamic acid ethyl ester
  参考文献：
  名称：

  4-Phenyl-1,2,3,6-tetrahydropyridine, an excellent fragment to improve the potency of PARP-1 inhibitors

  摘要：

  We have shown that a 4-phenyl-1,2,3,6-tetrahydropyridine fragment plays an important role in improving inhibitory potency against poly(ADP-ribose) polymerise-1 (PARP-1). Various benzamide analogues linked with this fragment via alkyl spacers have been prepared and evaluated. As a result, some of them have been found to be highly potent PARP-1 inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.094

文献信息

• PHENANTHRIDINONES AS PARP INHIBITORS
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP1487800A1

  公开（公告）日：2004-12-22
• [EN] PHENANTHRIDINONES AS PARP INHIBITORS<br/>[FR] PHENANTHRIDINONES UTILISEES COMME INHIBITEURS DE PARP
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2003080581A1

  公开（公告）日：2003-10-02

  A compound of the formula (I):whereinring A is a carbocyclic group, R1 is hydrogen or a halogen atom or a lower alkyl group,R2 is a di(lower)alkylamino group or N-containing heterocyclic group, among which the N-containing heterocyclic group may be substituted with one or more substituent(s),Y is an oxygen or sulfur atom, n is an integer from 0 to 2, andm is an integer from 0 to 4,or its prodrug, or their salt.which has poly(adenosine 5'-diphospho-ribose)polymerase inhibiting activity.
• 4-Phenyl-1,2,3,6-tetrahydropyridine, an excellent fragment to improve the potency of PARP-1 inhibitors
  作者：Junya Ishida、Kouji Hattori、Hirofumi Yamamoto、Akinori Iwashita、Kayoko Mihara、Nobuya Matsuoka

  DOI：10.1016/j.bmcl.2005.06.094

  日期：2005.10

  We have shown that a 4-phenyl-1,2,3,6-tetrahydropyridine fragment plays an important role in improving inhibitory potency against poly(ADP-ribose) polymerise-1 (PARP-1). Various benzamide analogues linked with this fragment via alkyl spacers have been prepared and evaluated. As a result, some of them have been found to be highly potent PARP-1 inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.