3-(trifluoromethyl)phenyl 5,6-dioxo-5,6-dihydro-1'H-spiro[naphtho[1,2-b][1,4]oxathiine-2,3'-piperidine]-1'-carboxylate | 959702-60-4

• 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: 3-(trifluoromethyl)phenyl 5,6-dioxo-5,6-dihydro-1'H-spiro[naphtho[1,2-b][1,4]oxathiine-2,3'-piperidine]-1'-carboxylate
• 英文别名: [3-(trifluoromethyl)phenyl] 5,6-dioxospiro[3H-benzo[h][1,4]benzoxathiine-2,3'-piperidine]-1'-carboxylate
• CAS: 959702-60-4
• 化学式: C₂₄H₁₈F₃NO₅S
• 分子量: 489.472
• InChiKey: QXGIZTHYKVEJSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  34
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  98.2
• 氢给体数：
  0
• 氢受体数：
  9

文献信息

• Novel lapachone compounds and methods of use thereof
  申请人：Ashwell Mark A.

  公开号：US20090105166A1

  公开（公告）日：2009-04-23

  The present invention provides novel tricyclic spiro-oxathiine naphthoquinone derivatives, a synthetic method for making the derivatives, and the use of the derivatives to induce cell death and/or to inhibit proliferation of cancer or precancerous cells. The naphthoquinone derivatives of the present invention are related to the compound known as β-lapachone (3,4-dihydro-2,2-dimethyl-2H-naphtho(1,2-b)pyran-5,6-dione).

  本发明提供了一种新型的三环螺-氧杂硫杂萘醌衍生物，一种制造该衍生物的方法，以及利用该衍生物诱导细胞死亡和/或抑制癌症或前癌细胞增殖的应用。本发明的萘醌衍生物与被称为β-拉帕醇（3,4-二氢-2,2-二甲基-2H-萘(1,2-b)吡喃-5,6-二酮）的化合物有关。
• Peptide-based multimeric targeted contrast agents
  申请人：Zhang Zhaoda

  公开号：US20060039861A1

  公开（公告）日：2006-02-23

  Peptides and peptide-targeted multimeric contrast agents are described, as well as methods of making and using the contrast agents.

  本文描述了肽和肽靶向多聚对比剂，以及制备和使用对比剂的方法。
• Novel Lapachone Compounds And Methods of Use Thereof
  申请人：Ashwell Mark A.

  公开号：US20110105470A1

  公开（公告）日：2011-05-05

  The present invention provides novel tricyclic spiro-oxathiine naphthoquinone derivatives, a synthetic method for making the derivatives, and the use of the derivatives to induce cell death and/or to inhibit proliferation of cancer or precancerous cells. The naphthoquinone derivatives of the present invention are related to the compound known as β-lapachone (3,4-dihydro-2,2-dimethyl-2H-naphtho(1,2-b)pyran-5,6-dione).

  本发明提供了新型三环螺环氧硫噻吩萘醌衍生物、制备该衍生物的合成方法以及使用该衍生物诱导细胞死亡和/或抑制癌症或癌前细胞增殖。本发明的萘醌衍生物与已知的β-萘醌化合物（3,4-二氢-2,2-二甲基-2H-萘(1,2-b)吡喃-5,6-二酮）相关。
• US7902354B2
  申请人：——

  公开号：US7902354B2

  公开（公告）日：2011-03-08
• US8039503B2
  申请人：——

  公开号：US8039503B2

  公开（公告）日：2011-10-18