2,3-trans-cyclohexano-1,4,7,10,13-pentaazacyclopentadecane | 187523-78-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,3-trans-cyclohexano-1,4,7,10,13-pentaazacyclopentadecane
• 英文别名: (1R,15R)-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane
• CAS: 187523-78-0
• 化学式: C₁₄H₃₁N₅
• 分子量: 269.434
• InChiKey: FRWDGOWTIYGCCO-ZIAGYGMSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  60.2
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  manganese(ll) chloride 、 2,3-trans-cyclohexano-1,4,7,10,13-pentaazacyclopentadecane 以 甲醇 为溶剂， 生成 dichloro(trans-2,3-cyclohexano-1,4,7,10,13-pentaazacyclopentadecane)manganese(II)
  参考文献：
  名称：

  Riley, Dennis P.; Henke, Susan L.; Lennon, Patrick J., Inorganic Chemistry, 1999, vol. 38, # 8, p. 1908 - 1917

  摘要：

  DOI：
• 作为产物：
  描述：

  (4aR,17aR)-17-(Toluene-4-sulfonyl)-tetradecahydro-5,8,11,14,17-pentaaza-benzocyclopentadecene-6,9,12,15-tetraone 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以76%的产率得到2,3-trans-cyclohexano-1,4,7,10,13-pentaazacyclopentadecane
  参考文献：
  名称：

  Synthesis of conformationally tailored pentaazacyclopentadecanes. Preorganizing peptide cyclizations

  摘要：

  A general method for the preparation of rigidified pentaazamacrocycles using trans-(1R,2R)-diaminocyclohexane as the conformational controller element. High macrocyclization yields have been obtained by strategic placement of the diaminocyclohexane group within the pseudopeptide backbone. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(96)02446-x

文献信息

• New conformationally constrained polyaza macrocycles prepared via the bis(chloroacetamide) method
  作者：Patrick J. Lennon、Hayat Rahman、Karl W. Aston、Susan L. Henke、Dennis P. Riley

  DOI：10.1016/s0040-4039(00)75981-8

  日期：1994.1

  The synthesis of two new series of conformationally constrained polyazamacrocycles featuring polysubstitution at macrocycle ring carbons is described.

  描述了两个新的一系列构象受限的聚氮杂大环化合物的合成，其特征是在大环环碳上具有多取代基。
• Super-oxide dismutase mimetics
  申请人：Galera Labs, LLC

  公开号：US10350193B2

  公开（公告）日：2019-07-16

  The present invention relates to compounds which are effective as catalysts for dismutating superoxide and, more particularly, the manganese or iron complexes of substituted, unsaturated heterocyclic 16-membered macrocyclic complexes that catalytically dismutate superoxide. It also relates to methods of using these complexes to reduce the concentration or the effects of superoxide, pharmaceutical compositions comprising these compounds or their metal complexes, and methods of treating conditions associated with excessive superoxide activity.

  本发明涉及可有效作为催化剂分解超氧化物的化合物，特别是可催化分解超氧化物的取代的不饱和杂环16元大环络合物的锰或铁络合物。它还涉及使用这些络合物降低超氧化物浓度或影响的方法、包含这些化合物或其金属络合物的药物组合物，以及治疗与过量超氧化物活性相关的病症的方法。
• SODm therapy for treatment, prevention, inhibition and reversal of inflammatory disease
  申请人：Salvemini Daniela

  公开号：US20050171198A1

  公开（公告）日：2005-08-04

  The present invention relates to the use of a manganese complex of a heterocyclic pentaazacyclopentadecane ligand, which is effective as a catalyst for dismutating superoxide, particularly in treating, preventing, inhibiting and reversing inflammatory disease.

  本发明涉及杂环五氮杂环十五烷配体的锰络合物的用途，该锰络合物作为一种催化剂可有效地分解超氧化物，特别是在治疗、预防、抑制和逆转炎症性疾病方面。
• Riley, Dennis P.; Henke, Susan L.; Lennon, Patrick J., Inorganic Chemistry, 1996, vol. 35, # 18, p. 5213 - 5231
  作者：Riley, Dennis P.、Henke, Susan L.、Lennon, Patrick J.、Weiss, Randy H.、Neumann, William L.、Rivers Jr., Willie J.、Aston, Karl W.、Sample, Kirby R.、Rahman, Hayat、Ling, Chaur-Sun、Shieh, Jeng-Jong、Busch, Daryle H.、Szulbinski, Witold

  DOI：——

  日期：——
• SUPER-OXIDE DISMUTASE MIMETICS
  申请人：Riley Dennis P.

  公开号：US20100256178A1

  公开（公告）日：2010-10-07

  The present invention relates to compounds which are effective as catalysts for dismutating superoxide and, more particularly, the manganese or iron complexes of substituted, unsaturated heterocyclic 16-membered macrocyclic complexes that catalytically dismutate superoxide. It also relates to methods of using these complexes to reduce the concentration or the effects of superoxide, pharmaceutical compositions comprising these compounds or their metal complexes, and methods of treating conditions associated with excessive superoxide activity.