BSc3933 | 1204407-36-2

• 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: BSc3933
• 英文别名: isopropyl 2-(4-((4-chlorophenyl)(hydroxyimino)methyl)phenoxy)-2-methylpropanoate
• CAS: 1204407-36-2
• 化学式: C₂₀H₂₂ClNO₄
• 分子量: 375.852
• InChiKey: CLEBHFJFTRVYDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.68
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  68.12
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  BSc3933 在 1,10-菲罗啉 、 tetrakis(acetonitrile)copper(I)tetrafluoroborate 、 fac-tris(2-(4'-tert-butyl)phenylpyridine)iridium(III) 、 三乙胺 作用下， 以 二氯甲烷 、 氯苯 为溶剂， 反应 12.0h， 生成 isopropyl 2-(4-((4-chlorophenyl)(cyanoimino)methyl)phenoxy)-2-methylpropanoate
  参考文献：
  名称：

  Access to Cyanoimines Enabled by Dual Photoredox/Copper-Catalyzed Cyanation of O-Acyl Oximes

  摘要：

  An efficient strategy for the synthesis of pharmaceutically important and synthetically useful cyanoimines, as well as cyanamides, has been described. This strategy is enabled by dual photoredox/copper-catalyzed cyanation of O-acyl oximes or O-acyl hydroxamides. This state of the art protocol for cyanoimines and cyanamides features readily available starting materials, mild reaction conditions, good functional group tolerance, and operational simplicity. The resultant cyanoimines can be transformed into structurally diverse and functionally important N-containing heterocycles.

  DOI：

  10.1021/acs.orglett.0c02659
• 作为产物：
  描述：

  非诺贝特 、 盐酸羟胺 在 吡啶 作用下， 以 乙醇 为溶剂， 以70.2%的产率得到BSc3933
  参考文献：
  名称：

  NSAID-derived γ-secretase modulators. Part III: Membrane anchoring

  摘要：

  Selective lowering of A beta(42) levels with small-molecule substrate targeting c-secretase modulators (sGSMs), such as some non-steroidal anti-inflammatory drugs, is a promising therapeutic approach for Alzheimer's disease. Here we present N-substituted carbazole-and O-substituted fenofibrate-derived sGSMs and their activity data. Seven out of 19 screened compounds exhibited promising activity against A beta(42) secretion at a low micromolar level. We presume that the sGSMs interact with lys624 at the membrane interface and that the lipophilic substituents anchor the compound orientation in the membrane. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.035