(E)-N-(5-{2-[methyl-(3-methyl-benzo[b]thiophen-2-ylmethyl)carbamoyl]vinyl}pyridin-2-yl)-4-(4-methyl-piperazin-1-yl)-4-oxo-butyramide | 768378-55-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: (E)-N-(5-{2-[methyl-(3-methyl-benzo[b]thiophen-2-ylmethyl)carbamoyl]vinyl}pyridin-2-yl)-4-(4-methyl-piperazin-1-yl)-4-oxo-butyramide
• 英文别名: (E)-N-(5-{2-[Methyl-(3-methyl-benzo[b]thiophen-2-ylmethyl)carbamoyl]vinyl}pyridin-2-yl)-4(4-methyl-piperazin-1-yl)-4-oxo-butyramide；N-[5-[(E)-3-[methyl-[(3-methyl-1-benzothiophen-2-yl)methyl]amino]-3-oxoprop-1-enyl]pyridin-2-yl]-4-(4-methylpiperazin-1-yl)-4-oxobutanamide
• CAS: 768378-55-8
• 化学式: C₂₈H₃₃N₅O₃S
• 分子量: 519.668
• InChiKey: OLYMJRFLIBSWSC-FMIVXFBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-[6-(2,5-dioxo-pyrrolidin-1-yl)pyridin-3-yl]-N-methyl-N-(3-methyl-benzo[b]thiophen-2-ylmethyl)acrylamide 、 (E)-3-[6-(2,5-dioxo-pyrrolidin-1-yl)pyridin-3-yl]-N-methyl-N (1-methyl-1H-indol-2-ylmethyl)acrylamide 、 N-甲基哌嗪 、 氨 生成 (E)-N-(5-{2-[methyl-(3-methyl-benzo[b]thiophen-2-ylmethyl)carbamoyl]vinyl}pyridin-2-yl)-4-(4-methyl-piperazin-1-yl)-4-oxo-butyramide
  参考文献：
  名称：

  Compositions comprising multiple bioactive agents, and methods of using the same

  摘要：

  本发明的一部分涉及含有FabI抑制剂和至少一种其他生物活性剂的组合物。另一部分，本发明涉及含有I-III式化合物和至少一种其他抗菌剂的抗菌组合物。

  公开号：

  US20060142265A1

文献信息

• [EN] HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY<br/>[FR] COMPOSES HETEROCYCLIQUES, PROCEDES DE PRODUCTION DE CEUX-CI ET UTILISATION DE CEUX-CI DANS UN TRAITEMENT
  申请人：AFFINIUM PHARM INC

  公开号：WO2004052890A1

  公开（公告）日：2004-06-24

  In part, the present invention is directed to antibacterial compounds of formula (I) wherein A is a bicyclic heteroaryl ring or a tricyclic ring and R2 is an heterocyclic residue; L is a bond, or L is alkyl, alkenyl or cycloalkyl.

  在某种程度上，本发明涉及公式（I）的抗菌化合物，其中A是一个双环杂芳基环或三环环，R2是一个杂环残基；L是一个键，或者L是烷基，烯基或环烷基。
• Compositions comprising multiple bioactive agents, and methods of using the same
  申请人：Berman M. Judd

  公开号：US20060142265A1

  公开（公告）日：2006-06-29

  In part, the present invention is directed to compositions comprising a FabI inhibitor and at least one other bioactive agent. In another part, the present invention is directed to antibacterial compositions comprising a compound of formulas I-III and at least one other antibacterial agent.

  本发明的一部分涉及含有FabI抑制剂和至少一种其他生物活性剂的组合物。另一部分，本发明涉及含有I-III式化合物和至少一种其他抗菌剂的抗菌组合物。
• Heterocyclic compounds, methods of making them and their use in therapy
  申请人：Berman Judd

  公开号：US20060183908A1

  公开（公告）日：2006-08-17

  In part, the present invention is directed to antibacterial compounds of formula (I) wherein A is a bicyclic heteroaryl ring or a tricyclic ring and R 2 is an heterocyclic residue; L is a bond, or L is alkyl, alkenyl or cycloalkyl.

  部分地，本发明涉及公式（I）中的抗菌化合物，其中A是双环杂芳基环或三环环，并且R2是杂环残基; L是键合或L是烷基，烯基或环烷基。
• Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy
  申请人：Berman Judd

  公开号：US20110124633A1

  公开（公告）日：2011-05-26

  In part, the present invention is directed to antibacterial compounds.

  部分地，本发明涉及抗菌化合物。
• HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY
  申请人：Debiopharm International SA

  公开号：EP1575951B1

  公开（公告）日：2014-06-25