6-[1-(naphthalene-2-sulfonyl)azepan-4-ylamino]nicotinic acid ethyl ester | 860024-02-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-[1-(naphthalene-2-sulfonyl)azepan-4-ylamino]nicotinic acid ethyl ester
• 英文别名: Ethyl 6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxylate
• CAS: 860024-02-8
• 化学式: C₂₄H₂₇N₃O₄S
• 分子量: 453.562
• InChiKey: FEUUCTYFMQUXFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  97
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  6-[1-(naphthalene-2-sulfonyl)azepan-4-ylamino]nicotinic acid ethyl ester 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以100%的产率得到6-[1-(naphthalene-2-sulfonyl)azepan-4-ylamino]nicotinic acid sodium salt
  参考文献：
  名称：

  Discovery of pyrimidyl-5-hydroxamic acids as new potent histone deacetylase inhibitors

  摘要：

  A series of pyrimidyl-5-hydroxamic acids was prepared for evaluation as inhibitors of histone deacetylase (HDAC). Amino-2-pyrimidinyl can be used as a linker to provide HDAC inhibitors of good enzymatic potency. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.01.008
• 作为产物：
  描述：

  1-Naphthalen-2-ylsulfonylazepan-4-amine 、 6-氯烟酸乙酯 在 sodium carbonate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 18.0h， 以40%的产率得到6-[1-(naphthalene-2-sulfonyl)azepan-4-ylamino]nicotinic acid ethyl ester
  参考文献：
  名称：

  Discovery of pyrimidyl-5-hydroxamic acids as new potent histone deacetylase inhibitors

  摘要：

  A series of pyrimidyl-5-hydroxamic acids was prepared for evaluation as inhibitors of histone deacetylase (HDAC). Amino-2-pyrimidinyl can be used as a linker to provide HDAC inhibitors of good enzymatic potency. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.01.008

文献信息

• Discovery of pyrimidyl-5-hydroxamic acids as new potent histone deacetylase inhibitors
  作者：Patrick Angibaud、Janine Arts、Kristof Van Emelen、Virginie Poncelet、Isabelle Pilatte、Bruno Roux、Sven Van Brandt、Marc Verdonck、Hans De Winter、Peter Ten Holte、Ann Marien、Wim Floren、Boudewijn Janssens、Jacky Van Dun、An Aerts、Jacky Van Gompel、Sandrine Gaurrand、Laurence Queguiner、Jean-Michel Argoullon、Luc Van Hijfte、Eddy Freyne、Michel Janicot

  DOI：10.1016/j.ejmech.2005.01.008

  日期：2005.6

  A series of pyrimidyl-5-hydroxamic acids was prepared for evaluation as inhibitors of histone deacetylase (HDAC). Amino-2-pyrimidinyl can be used as a linker to provide HDAC inhibitors of good enzymatic potency. (c) 2005 Elsevier SAS. All rights reserved.