1-(3-chloropropyl)-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazole 2-oxide | 1020046-30-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(3-chloropropyl)-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazole 2-oxide
• 英文别名: 1-(3-chloropropyl)-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione 2-oxide；3-(3-chloropropyl)-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione
• CAS: 1020046-30-3
• 化学式: C₁₃H₁₀ClN₃O₃
• mdl: MFCD11983274
• 分子量: 291.694
• InChiKey: NKVMQZADYFEORW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  77.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(3-chloropropyl)-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazole 2-oxide 在 sodium azide 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 0.5h， 以92%的产率得到1-(3-azidopropyl)-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazole 2-oxide
  参考文献：
  名称：

  Novel Fluorescent Pyrimidine Nucleosides Containing 2,1,3-Benzoxadiazole and Naphtho-[1,2,3-CD] Indole-6 (2H)-One Fragments

  摘要：

  A series of novel fluorescent pyrimidine nucleosides containing 2,1,3-benzoxadiazole or naphtho[1,2,3-cd]indole-6 (2h)-one fragments was designed and synthesized. Introduction of fluorescent fragments into the position 5 of the uridine or cytidine heterocycle was carried out in two ways: by Sonogashira Coupling Reaction and CuI-catalyzed cycloaddition ("click" reaction). The obtained nucleoside derivatives became fluorescent due to the inserted fragments. The excitation wavelength (440-450 nm) was outside the absorption band of many biomolecules and significantly differed from the emission wavelength (560-600 nm). In addition, the intended nucleoside analogs were shown to kill cultured human tumor cells at submicromolar concentrations.

  DOI：

  10.1080/15257770.2014.913064

文献信息

• COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS
  申请人：VM Discovery, Inc.

  公开号：EP2194783A1

  公开（公告）日：2010-06-16
• [EN] COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS<br/>[FR] COMPOSITIONS ET PROCÉDÉS POUR MODULATEURS D'APOPTOSE
  申请人：VM DISCOVERY INC

  公开号：WO2009023558A1

  公开（公告）日：2009-02-19

  The present invention includes relates generally to compounds which modulate apoptosis in cells. The present invention also provides pharmaceutical compositions containing these compounds, methods of making these compounds, and methods of using these compounds and pharmaceutical compositions for treatment of diseases associated with irregular apoptosis in cells.