tert-butyl N-[(2S)-6-amino-1-[4-(oxan-2-yloxycarbamoyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidin-1-yl]-1-oxohexan-2-yl]carbamate | 1459250-70-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl N-[(2S)-6-amino-1-[4-(oxan-2-yloxycarbamoyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidin-1-yl]-1-oxohexan-2-yl]carbamate
• CAS: 1459250-70-4
• 化学式: C₃₅H₄₇F₃N₄O₁₀S
• 分子量: 772.84
• InChiKey: UIUIQZMWTNKUKI-XLTVJXRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  53
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  193
• 氢给体数：
  3
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[(2S)-6-amino-1-[4-(oxan-2-yloxycarbamoyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidin-1-yl]-1-oxohexan-2-yl]carbamate 、 5-羧基荧光素 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 生成
  参考文献：
  名称：

  Design and synthesis of MMP inhibitors with appended fluorescent tags for imaging and visualization of matrix metalloproteinase enzymes

  摘要：

  We describe the synthesis, MMP-2 and 9 potency, and in vitro evaluation of a series of alpha-sulfone hydroxmate MMP inhibitors conjugated to a series of dyes with different absorption/emission lamina maxima's that can be used to visualize tumors. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.08.050
• 作为产物：
  描述：

  Ethyl 4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxylate 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 potassium hydroxide 作用下， 生成 tert-butyl N-[(2S)-6-amino-1-[4-(oxan-2-yloxycarbamoyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidin-1-yl]-1-oxohexan-2-yl]carbamate
  参考文献：
  名称：

  Design and synthesis of MMP inhibitors with appended fluorescent tags for imaging and visualization of matrix metalloproteinase enzymes

  摘要：

  We describe the synthesis, MMP-2 and 9 potency, and in vitro evaluation of a series of alpha-sulfone hydroxmate MMP inhibitors conjugated to a series of dyes with different absorption/emission lamina maxima's that can be used to visualize tumors. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.08.050

文献信息

• Design and synthesis of MMP inhibitors with appended fluorescent tags for imaging and visualization of matrix metalloproteinase enzymes
  作者：John N. Freskos、Bethel Asmelash、Kimberly R. Gaston、Amol Karwa、Tim A. Marzan、Maureen A. Nickols、Thomas E. Rogers、Tasha Schoenstein、Carolyn J. Sympson、Bich Vu

  DOI：10.1016/j.bmcl.2013.08.050

  日期：2013.10

  We describe the synthesis, MMP-2 and 9 potency, and in vitro evaluation of a series of alpha-sulfone hydroxmate MMP inhibitors conjugated to a series of dyes with different absorption/emission lamina maxima's that can be used to visualize tumors. (C) 2013 Elsevier Ltd. All rights reserved.