9-{4-[1-(1-ethyl-3-carboxy-4-oxo-6-fluoro-7-quinolyl)-4-piperazinyl]butyl}-N2-(3-ethyl-4-methylphenyl)guanine | 479069-20-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 9-{4-[1-(1-ethyl-3-carboxy-4-oxo-6-fluoro-7-quinolyl)-4-piperazinyl]butyl}-N2-(3-ethyl-4-methylphenyl)guanine
• 英文别名: 1-ethyl-7-[4-[4-[2-(3-ethyl-4-methylanilino)-6-oxo-1H-purin-9-yl]butyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
• CAS: 479069-20-0
• 化学式: C₃₄H₃₉FN₈O₄
• 分子量: 642.733
• InChiKey: QQFTWQDSOABCDM-UHFFFAOYSA-N

物化性质

• 沸点：
  875.1±75.0 °C(Predicted)
• 密度：
  1.40±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  47
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  135
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• Novel heterocyclic antibacterial compounds
  申请人：——

  公开号：US20030181719A1

  公开（公告）日：2003-09-25

  The invention provides heterocyclic organic compounds that inhibit bacterial DNA polymerase IIIC and type II bacterial topoisomerase. The invention further provides compounds that are useful as intermediates in the synthesis of such heterocyclic organic compounds. Syntheses and uses of such heterocyclic organic molecules are also described.

  该发明提供了抑制细菌DNA聚合酶IIIC和类型II细菌拓扑异构酶的杂环有机化合物。该发明还提供了在合成这种杂环有机化合物中作为中间体有用的化合物。该发明还描述了这种杂环有机分子的合成和用途。
• [EN] NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES ANTIBACTERIENS HETEROCYCLIQUES
  申请人：MICROBIOTIX INC

  公开号：WO2002102792A1

  公开（公告）日：2002-12-27

  The invention provides heterocyclic organic compounds that inhibit bacterial DNA polymerase IIIC and type II bacterial topoisomerase. The invention further provides compounds that are useful as intermediates in the synthesis of such heterocyclic organic compounds. Syntheses and uses of such heterocyclic organic molecules are also described.

  本发明提供了一些杂环有机化合物，可抑制细菌DNA聚合酶IIIC和II型细菌拓扑异构酶。本发明还提供了一些化合物，可用作合成此类杂环有机化合物的中间体。本发明还描述了这种杂环有机分子的合成和用途。
• Thymine derivatives and quinazoline-dione derivatives for the inhibition of HSP27
  申请人：TECHNISCHE UNIVERSITAET DRESDEN

  公开号：US10940150B2

  公开（公告）日：2021-03-09

  The present invention relates to novel HSP27 inhibitors, in particular thymine derivatives according to general formula (VI), (VII) or (VII) and phenothiazine derivatives according to formula (V), and to their use as drugs for the selective inhibition of the heat shock protein HSP27 (HSPB1), in particular for use in the treatment of carcinomas or cystic fibrosis, said inhibitors having a particularly advantageous activity in the lower micromolar or sub-micromolar active ingredient concentration range with respect to HSP27.

  本发明涉及新型HSP27抑制剂，特别是根据通式（VI）、（VII）或（VII）的胸腺嘧啶衍生物和根据式（V）的吩噻嗪衍生物，以及它们作为选择性抑制热休克蛋白HSP27（HSPB1）的药物的用途，特别是用于治疗癌症或囊性纤维化，所述抑制剂在较低的微摩尔或亚微摩尔活性成分浓度范围内对HSP27具有特别有利的活性。
• EP1401829A4
  申请人：——

  公开号：EP1401829A4

  公开（公告）日：2004-10-27
• NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS
  申请人：Microbiotix, Inc.

  公开号：EP1401829B1

  公开（公告）日：2012-08-22