2,4-dimethylpentan-3-yl N-[(3S)-1,2-dioxo-1-(1,3-thiazol-5-ylmethylamino)heptan-3-yl]carbamate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2,4-dimethylpentan-3-yl N-[(3S)-1,2-dioxo-1-(1,3-thiazol-5-ylmethylamino)heptan-3-yl]carbamate
• 化学式: C₁₉H₃₁N₃O₄S
• 分子量: 397.539
• InChiKey: GLJNOSBGZXMOLG-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  126
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  Carbamic acid,[(1S)-1-[cyano(triphenylphosphoranylidene)acetyl]pentyl]-,2-methyl-1-(1-methylethyl)propyl ester 在 臭氧 作用下， 以 二氯甲烷 为溶剂， 生成 2,4-dimethylpentan-3-yl N-[(3S)-1,2-dioxo-1-(1,3-thiazol-5-ylmethylamino)heptan-3-yl]carbamate
  参考文献：
  名称：

  Orally bioavailable small molecule ketoamide-based inhibitors of cathepsin K

  摘要：

  An orally available series of ketoamide-based inhibitors of cathepsin K has been identified. Starting from a potent inhibitor with poor oral bioavailability, modifications to P-1 and P-1' elements led to enhancements in solubility and permeability. These improvements resulted in orally available cathepsin K inhibitors. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.085

文献信息

• Orally bioavailable small molecule ketoamide-based inhibitors of cathepsin K
  作者：David G. Barrett、John G. Catalano、David N. Deaton、Stacey T. Long、Larry R. Miller、Francis X. Tavares、Kevin J. Wells-Knecht、Lois L. Wright、Hui-Qiang Q. Zhou

  DOI：10.1016/j.bmcl.2004.02.085

  日期：2004.5

  An orally available series of ketoamide-based inhibitors of cathepsin K has been identified. Starting from a potent inhibitor with poor oral bioavailability, modifications to P-1 and P-1' elements led to enhancements in solubility and permeability. These improvements resulted in orally available cathepsin K inhibitors. (C) 2004 Elsevier Ltd. All rights reserved.