{2-[8-(2-tert-Butoxycarbonylamino-ethylamino)-4,9-dioxo-4,9-dihydro-2-thia-1,3-diaza-cyclopenta[b]naphthalen-5-ylamino]-ethyl}-carbamic acid tert-butyl ester | 1026288-43-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: {2-[8-(2-tert-Butoxycarbonylamino-ethylamino)-4,9-dioxo-4,9-dihydro-2-thia-1,3-diaza-cyclopenta[b]naphthalen-5-ylamino]-ethyl}-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[2-[[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-4,9-dioxobenzo[f][2,1,3]benzothiadiazol-8-yl]amino]ethyl]carbamate
• CAS: 1026288-43-6
• 化学式: C₂₄H₃₂N₆O₆S
• 分子量: 532.621
• InChiKey: GSLISUQBUBFTAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.19
• 重原子数：
  37.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  160.64
• 氢给体数：
  4.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  {2-[8-(2-tert-Butoxycarbonylamino-ethylamino)-4,9-dioxo-4,9-dihydro-2-thia-1,3-diaza-cyclopenta[b]naphthalen-5-ylamino]-ethyl}-carbamic acid tert-butyl ester 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 5,8-Bis-(2-amino-ethylamino)-2-thia-1,3-diaza-cyclopenta[b]naphthalene-4,9-dione
  参考文献：
  名称：

  Synthesis, antileukemic evaluation and peroxidating ability of heterosubstituted anthracene-9,10-dione analogues: 5,8-[(aminoalkyl)amino]naphtho[2,3-d]thiazole-4,9-diones and 5,8-[(aminoalkyl)amino]naphtho[2,3-c] [1,2,5]thiadiazole-4,9-diones

  摘要：

  The syntheses of a number of heterosubstituted ametantrone analogues, 5,8-bis[(aminoalkyl)amino]naphtho[2,3-d]thia- zole-4,9-diones and 5,8-bis[(aminoalkyl)amino]naphtho[2,3-c] [1,2,5]thiadiazole-4,9-diones, have been performed. It was evidenced that this modification in the chromophore moiety has a negative effect on antileukemic activity. This modification also favors the affinity of the compounds toward NADH dehydrogenase and influences the redox potential.

  DOI：

  10.1016/0223-5234(94)90148-1
• 作为产物：
  描述：

  4,7-二甲氧基苯并-2,1,3-噻二唑 在 盐酸 、 三氯化铝 、 sodium dithionite 、 air 、 四甲基乙二胺 、 sodium chloride 作用下， 反应 1.67h， 生成 {2-[8-(2-tert-Butoxycarbonylamino-ethylamino)-4,9-dioxo-4,9-dihydro-2-thia-1,3-diaza-cyclopenta[b]naphthalen-5-ylamino]-ethyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis, antileukemic evaluation and peroxidating ability of heterosubstituted anthracene-9,10-dione analogues: 5,8-[(aminoalkyl)amino]naphtho[2,3-d]thiazole-4,9-diones and 5,8-[(aminoalkyl)amino]naphtho[2,3-c] [1,2,5]thiadiazole-4,9-diones

  摘要：

  The syntheses of a number of heterosubstituted ametantrone analogues, 5,8-bis[(aminoalkyl)amino]naphtho[2,3-d]thia- zole-4,9-diones and 5,8-bis[(aminoalkyl)amino]naphtho[2,3-c] [1,2,5]thiadiazole-4,9-diones, have been performed. It was evidenced that this modification in the chromophore moiety has a negative effect on antileukemic activity. This modification also favors the affinity of the compounds toward NADH dehydrogenase and influences the redox potential.

  DOI：

  10.1016/0223-5234(94)90148-1

文献信息

• Synthesis, antileukemic evaluation and peroxidating ability of heterosubstituted anthracene-9,10-dione analogues: 5,8-[(aminoalkyl)amino]naphtho[2,3-d]thiazole-4,9-diones and 5,8-[(aminoalkyl)amino]naphtho[2,3-c] [1,2,5]thiadiazole-4,9-diones
  作者：M Dzieduszycka、B Stefańska、J Tarasiuk、S Martelli、M Bontemps-Gracz、E Borowski

  DOI：10.1016/0223-5234(94)90148-1

  日期：1994.1

  The syntheses of a number of heterosubstituted ametantrone analogues, 5,8-bis[(aminoalkyl)amino]naphtho[2,3-d]thia- zole-4,9-diones and 5,8-bis[(aminoalkyl)amino]naphtho[2,3-c] [1,2,5]thiadiazole-4,9-diones, have been performed. It was evidenced that this modification in the chromophore moiety has a negative effect on antileukemic activity. This modification also favors the affinity of the compounds toward NADH dehydrogenase and influences the redox potential.