N,N'-bis((1R,2R)-[2-(amino)]cyclohexyl)-1,2-diaminoethane | 777843-12-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N'-bis((1R,2R)-[2-(amino)]cyclohexyl)-1,2-diaminoethane
• 英文别名: (1R,2R)-2-N-[2-[[(1R,2R)-2-aminocyclohexyl]amino]ethyl]cyclohexane-1,2-diamine
• CAS: 777843-12-6
• 化学式: C₁₄H₃₀N₄
• 分子量: 254.419
• InChiKey: CNAJPVQKACPNIB-AAVRWANBSA-N

物化性质

• 沸点：
  363.6±10.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  76.1
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-氯-2,6-吡啶二甲醛 、 N,N'-bis((1R,2R)-[2-(amino)]cyclohexyl)-1,2-diaminoethane 在 氢氧化钾 、 manganese(ll) chloride 、 sodium tetrahydroborate 、 水 作用下， 以 乙醇 为溶剂， 反应 3.17h， 以78%的产率得到
  参考文献：
  名称：

  Oxidation-resistant indicator macromolecule

  摘要：

  在某方面，本发明涉及一种可植入的设备，用于检测体内水环境中的分析物的存在或浓度。该设备包括一种大分子，该大分子包括以下共聚物：a）一个或多个指示组分单体，这些单体单独来说在水环境中不足以溶解，以便用于检测所述分析物的存在或浓度；b）一个或多个亲水性单体；以及c）一个或多个催化抗氧化剂单体；因此，该大分子能够检测水环境中的分析物的存在或浓度。催化抗氧化剂的存在降低或预防了大分子的氧化损伤。

  公开号：

  US20070014726A1

文献信息

• POLYETHYLENE GLYCOLATED SUPEROXIDE DISMUTASE MIMETICS
  申请人：Salvemini Daniela

  公开号：US20080318917A1

  公开（公告）日：2008-12-25

  Compounds and methods for utilizing compounds comprising a superoxide dismutase mimetic covalently linked to polyethylene glycol. Methods are also provided for preparing a superoxide dismutase mimetic covalently linked to a polyethylene glycol, the methods comprising reacting an activated polyethylene glycol with a superoxide, dismutase mimetic, or alternatively, reacting a superoxide dismutase mimetic with an activated polyethylene glycol. A method is also provided for preventing or treating a disease or disorder in which superoxide anions are implicated, comprising administering to a subject in need thereof, a therapeutically effective amount of a compound comprising a superoxide dismutase mimetic covalently linked to a polyethylene glycol. Methods of determining the safety and efficacy of the compounds ere also provided. Methods for determining the safety and efficacy can include methods in lab animals and humans.

  化合物和利用化合物的方法，包括将超氧化物歧化酶类似物共价连接到聚乙二醇中。还提供了制备超氧化物歧化酶类似物共价连接到聚乙二醇的方法，其中包括将活化聚乙二醇与超氧化物歧化酶类似物反应，或者将超氧化物歧化酶类似物与活化聚乙二醇反应。还提供了一种方法，用于预防或治疗超氧阴离子参与的疾病或紊乱，包括向需要治疗的受体注射含有超氧化物歧化酶类似物共价连接到聚乙二醇的化合物的治疗有效剂量。还提供了确定化合物安全性和有效性的方法。确定安全性和有效性的方法可以包括在实验动物和人类中进行的方法。
• Computer-Aided Design (CAD) of Mn(II) Complexes:  Superoxide Dismutase Mimetics with Catalytic Activity Exceeding the Native Enzyme
  作者：Karl Aston、Nigam Rath、Arati Naik、Urszula Slomczynska、Otto F. Schall、Dennis P. Riley

  DOI：10.1021/ic000958v

  日期：2001.4.1

  oxygen and hydrogen peroxide at pH = 7.4 of 1.2 x 10(+7) M(-1) s(-1).(1) The use of the computer-aided design paradigm reported previously for this class of Mn(II) complexes(2,3) led to the prediction that the 2S,21S-dimethyl derivative of M40403 should possess superior catalytic SOD activity. The synthesis of this new macrocyclic Mn(II) complex, [manganese(II)dichloro[2S, 21S-dimethyl-(4R,9R,14R,19R)-3

  由双环己基-吡啶配合物M40403（[锰（II）二氯[（4R，9R，14R，19R）-3,10,13,20,26-五氮杂四环[20.3.1.0 （4,9）0（14,19）] hexacosa-1（26），-22（23），24-三烯]]），在此描述。先前已证明复合物M40403是一种超氧化物歧化酶（SOD）催化剂，在pH = 7.4时超氧化物催化分解为氧气和过氧化氢的速率为1.2 x 10（+7）M（-1）s（-1） （1）使用先前报道的针对此类Mn（II）配合物的计算机辅助设计范式（2,3）导致了预测，即M40403的2S，21S-二甲基衍生物应具有优异的催化SOD活性。这种新的大环Mn（II）配合物，[二氯化锰（II）[2S，21S-二甲基-（4R，9R，14R，19R）-3,10,13,20,26-五甲基四环[20.3.1.0] 。（4,9）0（14，19）] hexacosa-1（2
• Chromatography of metal complexes
  申请人：Galera Therapeutics, LLC

  公开号：US08263568B2

  公开（公告）日：2012-09-11

  A high performance liquid chromatography method to routinely and reproducibly detect and quantitate metal complexes is provided. The metal complexes used in the method of the invention can be different metal complexes, or they can be stereoisomers of the same metal complexes. The high performance liquid chromatography method of the present invention is suitable for the separation of diastereomers of the same metal complexes. Also provided is a chiral high performance liquid chromatography method to separate enantiomers of metal complexes. Superoxide dismutase mimetic compounds are also provided.

  提供了一种高效液相色谱法，可以常规和可重复地检测和定量金属配合物。本发明中使用的金属配合物可以是不同的金属配合物，也可以是同一金属配合物的立体异构体。本发明的高效液相色谱法适用于分离同一金属配合物的对映异构体。还提供了一种手性高效液相色谱法，用于分离金属配合物的对映体。此外还提供了超氧化物歧化酶类似物化合物。
• A Mitochondria-Targeted Macrocyclic Mn(II) Superoxide Dismutase Mimetic
  作者：Geoffrey F. Kelso、Andrej Maroz、Helena M. Cochemé、Angela Logan、Tracy A. Prime、Alexander V. Peskin、Christine C. Winterbourn、Andrew M. James、Meredith F. Ross、Sally Brooker、Carolyn M. Porteous、Robert F. Anderson、Michael P. Murphy、Robin A.J. Smith

  DOI：10.1016/j.chembiol.2012.08.005

  日期：2012.10

  Superoxide (O-2(center dot-)) is the proximal mitochondrial reactive oxygen species underlying pathology and redox signaling. This central role prioritizes development of a mitochondria-targeted reagent selective for controlling O-2(center dot-). We have conjugated a mitochondria-targeting triphenylphosphonium (TPP) cation to a O-2(center dot-)-selective pentaaza macrocyclic Mn(II) superoxide dismutase (SOD) mimetic to make MitoSOD, a mitochondria-targeted SOD mimetic. MitoSOD showed rapid and extensive membrane potential-dependent uptake into mitochondria without loss of Mn and retained SOD activity. Pulse radiolysis measurements confirmed that MitoSOD was a very effective catalytic SOD mimetic. MitoSOD also catalyzes the ascorbate-dependent reduction of O-2(center dot-). The combination of mitochondrial uptake and O-2(center dot-) scavenging by MitoSOD decreased inactivation of the matrix enzyme aconitase caused by O-2(center dot-). MitoSOD is an effective mitochondria-targeted macrocyclic SOD mimetic that selectively protects mitochondria from O-2(center dot-) damage.
• CHROMATOGRAPHY OF METAL COMPLEXES
  申请人：SLOMCZYNSKA Urszula J.

  公开号：US20140326055A1

  公开（公告）日：2014-11-06

  A high performance liquid chromatography method to routinely and reproducibly detect and quantitate metal complexes is provided. The metal complexes used in the method of the invention can be different metal complexes, or they can be stereoisomers of the same metal complexes. The high performance liquid chromatography method of the present invention is suitable for the separation of diastereomers of the same metal complexes. Also provided is a chiral high performance liquid chromatography method to separate enantiomers of metal complexes. Superoxide dismutase mimetic compounds are also provided.