all-cis-1,3-N,N'-(di-tert-butyloxycarbonyl)-1,3,5-triaminocyclohexane | 688790-64-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: all-cis-1,3-N,N'-(di-tert-butyloxycarbonyl)-1,3,5-triaminocyclohexane
• 英文别名: all-cis-3,5-N,N-di-tert-butyloxycarbonyl-1,3,5-triaminocyclohexane
• CAS: 688790-64-9
• 化学式: C₁₆H₃₁N₃O₄
• 分子量: 329.44
• InChiKey: SBASFVLZDYUOCH-ZSBIGDGJSA-N

物化性质

• 熔点：
  214-215 °C
• 沸点：
  461.3±45.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.28
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  102.68
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  all-cis-1,3-N,N'-(di-tert-butyloxycarbonyl)-1,3,5-triaminocyclohexane 在 5%-palladium/activated carbon 、 氢气 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 244.0h， 生成
  参考文献：
  名称：

  小沟结合剂和Zn（II）-tach配合物之间的缀合物：合成，表征和与质粒DNA的相互作用

  摘要：

  Zn（II）-tach络合物和（吲哚）2之间的新的共轭物家族已经制备了通过不同长度的烷基或氧乙基接头连接的苯并呋喃-吲哚酰胺或苯并呋喃-吲哚酰胺小沟粘合剂。结合物与DNA牢固结合。但是，与DNA的络合促进了Zn（II）催化的DNA的水解裂解，反而导致了对DNA的抑制。使用Cu（II）也已经证实了这种抑制作用。建模研究表明，在最稳定的复合物构象中，小沟结合剂和接头位于小沟中，阻碍了金属配合物与DNA磷酸盐骨架之间的相互作用。因此，小沟槽粘合剂-连接剂-金属络合物的线性排列似乎对于确保紧密结合是有效的，但是从水解的观点来看是无效的。

  DOI：

  10.1016/j.tet.2017.04.013
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 cis,cis-1,3,5-triaminocyclohexane 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 48.0h， 以40%的产率得到all-cis-1,3-N,N'-(di-tert-butyloxycarbonyl)-1,3,5-triaminocyclohexane
  参考文献：
  名称：

  Toward Efficient Zn(II)-Based Artificial Nucleases

  摘要：

  A series of cis-cis-triaminocyclohexane Zn(II) complex-anthraquinone intercalator conjugates, designed in such a way to allow their easy synthesis and modification, have been investigated as hydrolytic cleaving agents for plasmid DNA. The ligand structure comprises a triaminocyclohexane platform linked by means of alkyl spacers of different length (from C-4 to C-8) to the anthraquinone group which may intercalate the DNA. At a concentration of 5 muM, the complex of the derivative with a C-8 alkyl spacer induces the hydrolytic stand scission of supercoiled DNA with a rate of 4.6 x 10(-6) s(-1) at pH 7 and 37 degreesC. The conjugation of the metal complex with the anthraquinone group leads to a 15-fold increase of the cleavage efficiency when compared with the anthraquinone lacking Zn-triaminocyclohexane complex. The straightforward synthetic procedure employed, allowing a systematic change of the spacer length, made possible to gain more insight on the role of the intercalating group in determining the reactivity of the systems. Comparison of the reactivity of the different complexes shows a remarkable increase of the DNA cleaving efficiency with the length of the spacer. In the case of too-short spacers, the advantages due to the increased DNA affinity are canceled due to the incorrect positioning of the reactive group, thus leading to cleavage inhibition.

  DOI：

  10.1021/ja039465q

文献信息

• NOVEL COUMARIN DERIVATIVE
  申请人：Nagano Tetsuo

  公开号：US20070197778A1

  公开（公告）日：2007-08-23

  A compound represented by the following general formula (I) or a salt thereof [R 1 represents hydrogen atom, or a C 1-12 alkyl group; R 2 represents a C 1-12 alkyl group having one or more maleimide groups, an aryl group having two or more maleimide groups, a group represented by the formula (A): —(CH 2 ) n —CO—N(R 11 )(R 12 ) (R 11 and R 12 represent hydrogen atom, a C 1-12 alkyl group, a C 1-12 alkyl group having one or more maleimide groups, or an aryl group having one or more maleimide groups, and n represents an integer of 1 to 6), or a group represented by the formula (B): —(CH 2 ) m —NH—CO—R 13 (R 13 represents a C 1-12 alkyl group having one or more maleimide groups, or an aryl group having one or more maleimide groups, and m represents an integer of 1 to 6); R 3 and R 5 represent hydrogen atom, or a halogen atom; R 4 represents hydroxyl group, a C 1-12 acyloxy group, a C 1-12 acyloxymethyloxy group, or an amino group], which is useful as a novel fluorescent labeling agent having a property of emitting intense fluorescence only after reacting with a thiol group.
• NOVEL COUMARIN DERIVATIVES
  申请人：NAGANO Tetsuo

  公开号：US20090118471A1

  公开（公告）日：2009-05-07

  A compound represented by the following general formula (I) or a salt thereof [R 1 represents hydrogen atom, or a C 1-12 alkyl group; R 2 represents a C 1-12 alkyl group having one or more maleimide groups, an aryl group having two or more maleimide groups, a group represented by the formula (A): —(CH 2 ) n —CO—N(R 11 )(R 12 ) (R 11 and R 12 represent hydrogen atom, a C 1-12 alkyl group, a C 1-12 alkyl group having one or more maleimide groups, or an aryl group having one or more maleimide groups, and n represents an integer of 1 to 6), or a group represented by the formula (B): —(CH 2 ) m —NH—CO—R 13 (R 13 represents a C 1-12 alkyl group having one or more maleimide groups, or an aryl group having one or more maleimide groups, and m represents an integer of 1 to 6); R 3 and R 5 represent hydrogen atom, or a halogen atom; R 4 represents hydroxyl group, a C 1-12 acyloxy group, a C 1-12 acyloxymethyloxy group, or an amino group], which is useful as a novel fluorescent labeling agent having a property of emitting intense fluorescence only after reacting with a thiol group.
• US7482473B2
  申请人：——

  公开号：US7482473B2

  公开（公告）日：2009-01-27