(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid

• 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: (2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
• 化学式: C₁₂H₁₆ClNO₄S
• mdl: MFCD10567549
• 分子量: 305.782
• InChiKey: LFULISIPSBADSX-KCJUWKMLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 4-chloro-N-[(1S,2R)-1-(hydroxymethyl)-2-methylbutyl]benzenesulfonamide
  参考文献：
  名称：

  Discovery of a novel series of Notch-sparing γ-secretase inhibitors

  摘要：

  Using a cell-based assay, we have identified a new series of Notch-sparing gamma-secretase inhibitors from HTS screening leads 2a and 2e. Lead optimization studies led to the discovery of analog 8e with improved gamma-secretase inhibitory potency and Notch-sparing selectivity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.064
• 作为产物：
  描述：

  L-别异亮氨酸 、 4-氯苯磺酰氯 在 三乙胺 作用下， 以 水 、 乙腈 为溶剂， 生成 (2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
  参考文献：
  名称：

  Discovery of a novel series of Notch-sparing γ-secretase inhibitors

  摘要：

  Using a cell-based assay, we have identified a new series of Notch-sparing gamma-secretase inhibitors from HTS screening leads 2a and 2e. Lead optimization studies led to the discovery of analog 8e with improved gamma-secretase inhibitory potency and Notch-sparing selectivity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.064

文献信息

• Discovery of a novel series of Notch-sparing γ-secretase inhibitors
  作者：Anthony Kreft、Boyd Harrison、Suzan Aschmies、Kevin Atchison、David Casebier、Derek C. Cole、George Diamantidis、John Ellingboe、Diane Hauze、Yun Hu、Donna Huryn、Mei Jin、Dennis Kubrak、Peimin Lu、Joseph Lundquist、Charles Mann、Robert Martone、William Moore、Aram Oganesian、Alex Porte、Dave R. Riddell、June Sonnenberg-Reines、Joseph R. Stock、Shaiu-Ching Sun、Erik Wagner、Kevin Woller、Zheng Xu、Hua Zhou、J. Steven Jacobsen

  DOI：10.1016/j.bmcl.2008.05.064

  日期：2008.7

  Using a cell-based assay, we have identified a new series of Notch-sparing gamma-secretase inhibitors from HTS screening leads 2a and 2e. Lead optimization studies led to the discovery of analog 8e with improved gamma-secretase inhibitory potency and Notch-sparing selectivity. (C) 2008 Elsevier Ltd. All rights reserved.