6,8-Difluoro-7-piperazin-1-yl-9-cyclopropyl-2,3,4,9-tetrahydroisothiazolo<5,4-b>quinoline-3,4-dione | 111279-49-3

• 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: 6,8-Difluoro-7-piperazin-1-yl-9-cyclopropyl-2,3,4,9-tetrahydroisothiazolo<5,4-b>quinoline-3,4-dione
• 英文别名: 9-cyclopropyl-6,8-difluoro-7-(1-piperazinyl)-2,3,4,9-tetrahydroisothiazolo[5,4-b]quinoline-3,4-dione；6,8-Difluoro-7-piperazin-1-yl-9-cyclopropyl-2,3,4,9-tetrahydroisothiazolo[5,4-b]quinoline-3,4-dione；Isothiazolo(5,4-b)quinoline-3,4(2H,9H)-dione, 9-cyclopropyl-6,8-difluoro-7-(1-piperazinyl)-；9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
• CAS: 111279-49-3
• 化学式: C₁₇H₁₆F₂N₄O₂S
• 分子量: 378.402
• InChiKey: DMWIKVPTLPZXQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  90
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  ethyl 1-cyclopropyl-2-phenylthio-6,7,8-trifluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylate 在 sodium hydrogensulfide 、 碳酸氢钠 、 间氯过氧苯甲酸 、 hydroxylamine-O-sulfonic acid 作用下， 以 吡啶 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 6,8-Difluoro-7-piperazin-1-yl-9-cyclopropyl-2,3,4,9-tetrahydroisothiazolo<5,4-b>quinoline-3,4-dione
  参考文献：
  名称：

  Chu; Claiborne, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 5, p. 1191 - 1195

  摘要：

  DOI：

文献信息

• Tricyclic quinoline antineoplastic agents
  申请人：Abbott Laboratories

  公开号：US05071848A1

  公开（公告）日：1991-12-10

  Isothiazolo-quinoline derivatives are described which are cytotoxic for various tumor cell lines and are useful in the treatment of neoplastic diseases.

  描述了一种异噻唑喹啉衍生物，其对多种肿瘤细胞系具有细胞毒性，并可用于治疗肿瘤性疾病。
• JPH03167191A
  申请人：——

  公开号：JPH03167191A

  公开（公告）日：1991-07-19
• Compounds and Methods for modulating the Silencing of a Polynucleotide of Interest
  申请人：Peng Jin

  公开号：US20090306035A1

  公开（公告）日：2009-12-10

  Methods and compositions comprising chemical compounds that modulate the silencing of a polynucleotide of interest in a cell are provided. Such chemical compounds when used in combination with an appropriate silencing element can be used to modulate (increase or decrease) the level of the polynucleotide targeted by the silencing element. Methods of using such compositions both in therapies involving RNAi-mediated suppression of gene expression, as well as, in vitro methods that allow for the targeted modulation of expression of a polynucleotide of interest are provided. Pharmaceutical or cosmetic formulations comprising such compounds and silencing elements also are disclosed. Methods for screening a compound of interest for the ability to modulate the activity of a heterologous silencing element also are provided.
• US4767762A
  申请人：——

  公开号：US4767762A

  公开（公告）日：1988-08-30
• US5071848A
  申请人：——

  公开号：US5071848A

  公开（公告）日：1991-12-10