6-(Dodecylamino)-3-methyluracil | 83797-71-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-(Dodecylamino)-3-methyluracil
• 英文别名: 3-Methyl-6-dodecylaminouracil；6-dodecylamino-3-methyluracil；6-(Dodecylamino)-3-methylpyrimidine-2,4(1H,3H)-dione；6-(dodecylamino)-3-methyl-1H-pyrimidine-2,4-dione
• CAS: 83797-71-1
• 化学式: C₁₇H₃₁N₃O₂
• 分子量: 309.452
• InChiKey: BTYAJMXPCPUKDP-UHFFFAOYSA-N

物化性质

• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  22
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  61.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(Dodecylamino)-3-methyluracil 在 sodium nitrite 作用下， 以 溶剂黄146 为溶剂， 以87%的产率得到6-Dodecylamino-3-methyl-5-nitroso-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  作为黄素模型的嘧啶蝶啶催化乙醇的自循环氧化

  摘要：

  通过 6-烷基氨基-5-亚硝基尿嘧啶 (IV) 与适当的 6-氯尿嘧啶缩合制备 10-取代的嘧啶 [5,4-g] 蝶啶 (II)。化合物II在中性条件下氧化环戊醇产生环戊酮，并且在氧化过程中观察到显着的自循环。

  DOI：

  10.1246/cl.1982.1127
• 作为产物：
  描述：

  十二烷基伯胺 、 6-氯-3-甲基尿嘧啶 以 正丁醇 为溶剂， 反应 5.0h， 以92%的产率得到6-(Dodecylamino)-3-methyluracil
  参考文献：
  名称：

  双（吡啶并二嘧啶）作为自循环氧化还原催化剂的合成及其在醇氧化中的显着转化

  摘要：

  Les catalyseurs 研究 sont 合成 par 缩合 d'α,ω-bis-(chloro-6 formyl-5 uracilyl-3) alcanes avec desalkylamino-6 uraciles

  DOI：

  10.1021/ja00208a011

文献信息

• Nagamatsu, Tomohisa; Yamato, Hirotake; Ono, Masami, Journal of the Chemical Society. Perkin transactions I, 1992, # 16, p. 2101 - 2110
  作者：Nagamatsu, Tomohisa、Yamato, Hirotake、Ono, Masami、Takarada, Shigeki、Yoneda, Fumio

  DOI：——

  日期：——
• A New and Facile Synthesis of Pyrido[2,3-<i>d</i>: 6,5-<i>d</i>′]dipyrimidine Derivatives
  作者：Tomohisa Nagamatsu、Yoshiharu Sakuma、Fumio Yoneda

  DOI：10.1055/s-1983-30571

  日期：——
• Synthesis and antitumor activities of novel 5-deazaflavin-sialic acid conjugate molecules
  作者：Yoshihiro Ikeuchi、Motoko Sumiya、Tetsuji Kawamoto、Naoshige Akimoto、Yuji Mikata、Maki Kishigami、Shigenobu Yano、Takuma Sasaki、Fumio Yoneda

  DOI：10.1016/s0968-0896(00)00124-3

  日期：2000.8

  6-Nitro-5-deazaflavin derivatives bearing O-(methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-D-glycero-alpha- and beta-D-galacto-non-2-ulopyranosylonate)alkyl group (sialosylalkyl group) at N(3) or N(10) and 8-amino-5-deazaflavin substituted with the sialosylalkyl group at the amino group were synthesized and their physicochemical properties as well as antitumor effects on KB and L1210 cells have been investigated. The configurations of the glycosides were determined by H-1 NMR and rate of hydrolysis of the glycosidic bond. It has been found that these conjugate molecules show significant antitumor activities. Combination of an 8-amino-5-deazaflavin with the sialosylalkyl group have been found to give rise to significant increase in antitumor activities of the compound. Antitumor effects of 6-nitro-5-deazaflavin-sialic acid conjugate molecules were similar or rather weak in comparison with those of the 6-nitro-5-deazaflavin derivatives without sialosylalkyl group. (C) 2000 Elsevier Science Ltd. All rights reserved.
• Autorecycling oxidation of alcohols catalyzed by pyridodipyrimidines as an NAD(P)+ model
  作者：Fumio Yoneda、Hirotake Yamato、Masami Ono

  DOI：10.1021/ja00409a070

  日期：1981.9
• Synthesis and cytotoxicity of 5-deazaflavins containing o- and p-quinone moieties
  作者：Tetsutaro Kimachi、Ken-ichi Sugita、Yoshinori Tamura、Miyuki Kagawa、Kumi Yamasaki、Fumio Yoneda、Takuma Sasaki

  DOI：10.1016/s0960-894x(97)00100-5

  日期：1997.3

  A series of 5-deazaflavo-10,11-quinones having o-quinone structure in the molecule were synthesized. The cytotoxicity of 5-deazaflavo-6,9-quinones (F-quinone derivatives) and 5-deazaflavo-10,11-quinones (o-quinones) was evaluated in vitro against L1210 and KB cells. Some of the synthesized compounds exhibited cytotoxic activity comparable to that of mytomycin C. (C) 1997 Elsevier Science Ltd.