1,4,7-Triazacyclononane-N,N',N''-tris-ethylacetat | 85003-64-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,4,7-Triazacyclononane-N,N',N''-tris-ethylacetat
• 英文别名: 1,4,7-triazacyclononane-N,N',N''-tris-2-ethylacetate；N,N',N''-Tris(ethoxycarbonylmethyl)-1,4,7-triazacyclononane；ethyl 2-[4,7-bis(2-ethoxy-2-oxoethyl)-1,4,7-triazonan-1-yl]acetate
• CAS: 85003-64-1
• 化学式: C₁₈H₃₃N₃O₆
• 分子量: 387.477
• InChiKey: IRVRVUUQWTXPTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  27
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  88.6
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1,4,7-Triazacyclononane-N,N',N''-tris-ethylacetat 以 乙醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Wieghardt, Karl; Bossek, Ursula; Guttmann, Martina, Zeitschrift für Naturforschung. Teil B, Anorganische Chemie, organische Chemie

  摘要：

  DOI：
• 作为产物：
  描述：

  溴乙酸乙酯 、 1,4,7-三氮杂环壬烷 生成 1,4,7-Triazacyclononane-N,N',N''-tris-ethylacetat
  参考文献：
  名称：

  COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN COSMETICS AND PERSONAL CARE PRODUCTS, INHIBITION OF METALLOENZYMES, AND INHIBITION OF REPERFUSION INJURY

  摘要：

  这项发明涉及一类具有螯合亲和力和选择性的化合物，用于第一过渡系列元素。应用或给予自由或结合化合物，或自由或结合化合物的生理盐，可导致第一过渡系列元素生物利用度和/或化学作用的降低。这些特性使得这种化合物在化妆品和个人护理产品中非常有用，可减少微生物在身体表面和体腔上生长引起的气味，减少在牙齿、牙菌斑和牙龈上生长引起的龋齿和牙龈疾病，抑制皮肤氧化损伤，抑制依赖于第一过渡系列元素的金属酶的酶促作用，以及抑制再灌注损伤。

  公开号：

  US06387891B2

文献信息

• Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity
  申请人：Winchell S. Harry

  公开号：US20050112066A1

  公开（公告）日：2005-05-26

  Cyclic polyaza chelators that possess high affinity and specificity for first transition series metal cations exhibit an unanticipated improvement in biological activity when administered as complexes with cations of the alkaline earth metals, Ca(II) and Mg(II), most notably Ca(II). By virtue of this improvement, these complexes are particularly effective in the treatment of pathological conditions, including ischemia and ischemia-reperfusion injury.

  具有高亲和力和特异性的环状多氮螯合剂，当与碱土金属阳离子的络合物一起给药时，表现出生物活性的意外改善，其中以Ca(II)和Mg(II)的络合物最为显著，尤其是Ca(II)。由于这种改善，这些络合物在治疗病理条件，包括缺血和缺血再灌注损伤方面特别有效。
• Perkin communications. Amide-armed azamacrocycles as a new series of synthetic carriers for alkali and alkaline earth metal cations
  作者：Hiroshi Tsukube、Hayamitsu Adachi、Shiro Morosawa

  DOI：10.1039/p19890001537

  日期：——

  Novel azamacrocycles having amide-functionalized arm groups have been shown to mediate selective and efficient transport of ‘hard’ alkali and alkaline earth metal cations via three-dimensional complexations, while the parent azamacrocycles favour ‘soft’ metal cations.

  已显示具有酰胺官能化的臂基的新型氮杂大环化合物可通过三维络合介导“硬”碱金属和碱土金属阳离子的选择性和有效转运，而母体氮杂大环化合物偏爱“软”金属阳离子。
• Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements
  申请人：CONCAT, LTD. a California Limited Partnership

  公开号：US20040006055A1

  公开（公告）日：2004-01-08

  Compounds that demonstrate chelation affinity and selectivity for first transition series elements are administered to patients suffering from such conditions as ischemia, prolonged seizures and trauma to provide neuroprotection, cardioprotection, or both. These compounds when administered form complexes with chelatable iron and copper cations and thereby mitigate the ability of these cations to catalyze Haber-Weiss reactions that form toxic hydroxy free radicals that cause tissue injury. These compounds also form complexes with chelatable zinc cations thereby inhibiting the cytotoxicity associated with excess chelatable zinc.

  表现出对第一过渡系列元素具有螯合亲和力和选择性的化合物被用于治疗患有缺血、持续性癫痫和创伤等疾病的患者，以提供神经保护、心脏保护或两者兼而有之。这些化合物在被给药时会与可螯合的铁和铜阳离子形成络合物，从而减轻这些阳离子催化哈伯-魏斯反应的能力，这些反应会产生导致组织损伤的有毒羟自由基。这些化合物还会与可螯合的锌阳离子形成络合物，从而抑制与过多可螯合锌相关的细胞毒性。
• Compounds with chelation affinity and selectivity for first transition series elements and their use in cosmetics and personal care products, inhibition of metalloenzymes, and inhibition of reperfusion injury
  申请人：——

  公开号：US20010041170A1

  公开（公告）日：2001-11-15

  This invention involves the use of a class of compounds with chelation affinity and selectivity for first transition series elements. Application or administration of the free or conjugated compound, or physiological salts of the free or conjugated compound, results in decrease of the bioavailability and/or chemical action of first transition series elements. These characteristics make such compounds useful in cosmetics and personal care products to decrease odor arising from microbial growth on body surfaces and in body cavities, decrease microbial growth on teeth, plaque, and gums that cause tooth decay and gum disease, inhibition of oxidative damage to the skin, inhibition of enzymatic action of metalloenzymes dependent on first transition series elements, and inhibition of reperfusion injury.

  这项发明涉及使用一类对第一过渡系列元素具有螯合亲和力和选择性的化合物。应用或给予自由或结合化合物，或自由或结合化合物的生理盐，可导致第一过渡系列元素的生物利用度和/或化学作用降低。这些特性使得这些化合物在化妆品和个人护理产品中非常有用，可减少身体表面和身体腔内微生物生长引起的气味，减少导致牙齿蛀牙和牙龈疾病的牙菌斑和牙龈微生物生长，抑制皮肤氧化损伤，抑制依赖于第一过渡系列元素的金属酶的酶促作用，以及抑制再灌注损伤。
• COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN COSMETICS AND PERSONAL CARE PRODUCTS, INHIBITION OF METALLOENZYMES, AND INHIBITION OF REPERFUSION INJURY
  申请人：Concat, Ltd.

  公开号：US06387891B2

  公开（公告）日：2002-05-14

  This invention involves the use of a class of compounds with chelation affinity and selectivity for first transition series elements. Application or administration of the free or conjugated compound, or physiological salts of the free or conjugated compound, results in decrease of the bioavailability and/or chemical action of first transition series elements. These characteristics make such compounds useful in cosmetics and personal care products to decrease odor arising from microbial growth on body surfaces and in body cavities, decrease microbial growth on teeth, plaque, and gums that cause tooth decay and gum disease, inhibition of oxidative damage to the skin, inhibition of enzymatic action of metalloenzymes dependent on first transition series elements, and inhibition of reperfusion injury.

  这项发明涉及一类具有螯合亲和力和选择性的化合物，用于第一过渡系列元素。应用或给予自由或结合化合物，或自由或结合化合物的生理盐，可导致第一过渡系列元素生物利用度和/或化学作用的降低。这些特性使得这种化合物在化妆品和个人护理产品中非常有用，可减少微生物在身体表面和体腔上生长引起的气味，减少在牙齿、牙菌斑和牙龈上生长引起的龋齿和牙龈疾病，抑制皮肤氧化损伤，抑制依赖于第一过渡系列元素的金属酶的酶促作用，以及抑制再灌注损伤。