(S)-6-amino-2-(2-azidoacetamido)-N-(2-(2-(2-(2-(4-((N-((R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl)-4-methoxyphenylsulfonamido)methyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethoxy)ethyl)hexanamide | 1451208-73-3

• 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: (S)-6-amino-2-(2-azidoacetamido)-N-(2-(2-(2-(2-(4-((N-((R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl)-4-methoxyphenylsulfonamido)methyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethoxy)ethyl)hexanamide
• 英文别名: (2S)-6-amino-2-[(2-azidoacetyl)amino]-N-[2-[2-[2-[2-[4-[[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-methoxyphenyl)sulfonylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
• CAS: 1451208-73-3
• 化学式: C₃₁H₅₁N₁₁O₁₀S
• 分子量: 769.88
• InChiKey: CAVUWSJXTGVGEQ-LMSSTIIKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  53
• 可旋转键数：
  28
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  261
• 氢给体数：
  5
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  5-fluoropent-1-yne 、 (S)-6-amino-2-(2-azidoacetamido)-N-(2-(2-(2-(2-(4-((N-((R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl)-4-methoxyphenylsulfonamido)methyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethoxy)ethyl)hexanamide 在 sodium ascorbate 、 copper(II) sulfate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以4 mg的产率得到
  参考文献：
  名称：

  Compounds with matrix-metalloproteinase inhibitory activity and imaging agents thereof

  摘要：

  本发明涉及治疗、诊断和成像剂领域，更具体地涉及具有以下一般式的化合物。这些化合物是基质金属蛋白酶（MMPs）的抑制剂。

  公开号：

  EP2644601A1

文献信息

• 6-DEOXY-6-THIOETHER-AMINO ACID CYCLODEXTRIN DERIVATIVES AND PREPARATION METHOD THEREOF
  申请人：Qi, Youmao

  公开号：EP2644624A1

  公开（公告）日：2013-10-02

  6-deoxy-6-thioether-amino acid cyclodextrin derivative is obtained by condensing an amino acid derivative with halogenated cyclodextrin in presence of alkali. The 6-deoxy-6-thioether-amino acid cyclodextrin derivative includes 6-deoxysulfinyl-6-thioether-amino acid cyclodextrin derivative and 6-deoxysulfonyl-6-thioether-amino acid cyclodextrin derivative. Compounds provided are for reversing neuromuscular relaxation in patients and animals induced by muscular relaxants. The compounds are able to rapidly reverse and antagonize muscular relaxation induced by muscular relaxants and can be administrated in preparing a drug having an antagonist effect on muscular relaxation. The compounds have low production cost and are able to reverse and antagonize a wide rage of muscular relaxations, thus effectively broaden scope of clinical use. More importantly, the compounds have a safe dose at least doubled compared to prior arts. The compounds have a general formula (I).

  6-脱氧-6-硫醚-氨基酸环糊精衍生物是由氨基酸衍生物与卤化环糊精在碱存在下缩合而成。6-脱氧-6-硫醚-氨基酸环糊精衍生物包括 6-脱氧亚磺酰基-6-硫醚-氨基酸环糊精衍生物和 6-脱氧磺酰基-6-硫醚-氨基酸环糊精衍生物。所提供的化合物用于逆转肌肉松弛剂诱导的患者和动物的神经肌肉松弛。这些化合物能够快速逆转和拮抗由肌肉松弛剂诱导的肌肉松弛，可以在制备对肌肉松弛有拮抗作用的药物时使用。这些化合物的生产成本低，能够逆转和拮抗多种肌肉松弛，从而有效地扩大了临床应用范围。更重要的是，与现有技术相比，这些化合物的安全剂量至少增加了一倍。这些化合物的通式为(I)。
• Compounds With Matrix-Metalloproteinase Inhibitory Activity and Imaging Agents Thereof
  申请人：Chen Gang

  公开号：US20130217887A1

  公开（公告）日：2013-08-22

  Novel compounds and pharmaceutical compositions having MMP inhibitory activity are disclosed, which have been found to be particularly useful in the prevention, treatment and diagnostic imaging of diseases associated with an unpaired activity of MMP, amongst others MMP-2, MMP-8, MMP-9 and/or MMP-13 to name a few. The compounds of the present invention are useful for the prevention, the treatment and the in vivo diagnostic imaging of a range of disease states (inflammatory, malignant and degenerative diseases) where specific matrix metalloproteinases are known to be involved.
• US9023318B2
  申请人：——

  公开号：US9023318B2

  公开（公告）日：2015-05-05