tert-butyl N-[(3S)-1-(tert-butylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate | 274685-85-7

• 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: tert-butyl N-[(3S)-1-(tert-butylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate
• CAS: 274685-85-7
• 化学式: C₁₆H₃₂N₂O₄
• 分子量: 316.441
• InChiKey: YUSIESRTTGNCNE-PXYINDEMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  87.7
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[(3S)-1-(tert-butylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate 在 碳酸氢钠 2,2,6,6-tetramethyl-piperidine-N-oxyl 、 sodium hypochlorite 、 potassium bromide 作用下， 以 二氯甲烷 为溶剂， 生成 ((S)-1-tert-Butylaminooxalyl-pentyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Design of small molecule ketoamide-based inhibitors of cathepsin K

  摘要：

  A novel series of ketoamide-based inhibitors of cathepsin K has been identified. Modifications to p(2) and p(3) elements were crucial to enhancing inhibitory activity. Although not optimized, a selected inhibitor was effective in attenuating type 1 collagen hydrolysis in a surrogate assay of bone resorption. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.029
• 作为产物：
  描述：

  [(S)-1-(Cyano-hydroxy-methyl)-pentyl]-carbamic acid tert-butyl ester 在 盐酸 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 tert-butyl N-[(3S)-1-(tert-butylamino)-2-hydroxy-1-oxoheptan-3-yl]carbamate
  参考文献：
  名称：

  Design of small molecule ketoamide-based inhibitors of cathepsin K

  摘要：

  A novel series of ketoamide-based inhibitors of cathepsin K has been identified. Modifications to p(2) and p(3) elements were crucial to enhancing inhibitory activity. Although not optimized, a selected inhibitor was effective in attenuating type 1 collagen hydrolysis in a surrogate assay of bone resorption. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.11.029

文献信息

• US6117870A
  申请人：——

  公开号：US6117870A

  公开（公告）日：2000-09-12
• Design of small molecule ketoamide-based inhibitors of cathepsin K
  作者：John G. Catalano、David N. Deaton、Stacey T. Long、Robert B. McFadyen、Larry R. Miller、J.Alan Payne、Kevin J. Wells-Knecht、Lois L. Wright

  DOI：10.1016/j.bmcl.2003.11.029

  日期：2004.2

  A novel series of ketoamide-based inhibitors of cathepsin K has been identified. Modifications to p(2) and p(3) elements were crucial to enhancing inhibitory activity. Although not optimized, a selected inhibitor was effective in attenuating type 1 collagen hydrolysis in a surrogate assay of bone resorption. (C) 2003 Elsevier Ltd. All rights reserved.