methyl (E)-3-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]prop-2-enoate | 731845-92-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: methyl (E)-3-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]prop-2-enoate
• CAS: 731845-92-4
• 化学式: C₁₇H₂₂O₆
• 分子量: 322.358
• InChiKey: CCEDUYQBDULFIC-VQHVLOKHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• [EN] HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS<br/>[FR] DERIVES D'ACIDE HYDROXAMIQUE UTILISES COMME INHIBITEURS DE L'HISTONE DESACETYLASE (HDAC)
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2004063169A1

  公开（公告）日：2004-07-29

  A compound having the following formula (I): wherein R1 is N-containing heterocyclic ring optionally substituted with one or more suitable substituent(s), R2 is hydroxyamino, R3 is hydrogen or a suitable substituent, L1 is -(CH?2#191)?n#191- (wherein n is an integer of 0 to 6) optionally substituted with one or more suitable substituent(s), wherein one or more methylene(s) may be replaced with suitable heteroatom(s), and L2 is lower alkenylene, or a salt thereof. The compound is useful as a histone deacetylase inhibitor.

  具有以下化学式（I）的化合物：其中R1是N-含杂环环，可选择地取代一个或多个适当的取代基，R2是羟胺基，R3是氢或适当的取代基，L1是-(CH?2#191)?n#191-（其中n是0到6的整数），可选择地取代一个或多个适当的取代基，其中一个或多个亚甲基可以被适当的杂原子取代，L2是较低的烯烃基，或其盐。该化合物可用作组蛋白去乙酰化酶抑制剂。
• Kinase-directed, activity-based probes
  申请人：Boyce P. James

  公开号：US20070009977A1

  公开（公告）日：2007-01-11

  Various embodiments of the present invention are related to kinase-directed, activity-based probes (“KABPs”) that bind to, and label, kinases. Each KABP includes a binding group that is recognized and bound by one or more kinases, a reactive group that tightly, and generally irreversibly, binds to the kinase, a tag group that provides a detectable label for the kinase-KABP pair, or that serves as a chemical handle for subsequent procedures and processes, and a linker group that links the tag group to one or more of the reactive group and the binding group, spacing the tag group from the reactive and binding groups. Additional embodiments of the present invention are directed to methods for identifying kinases within, and isolating kinases from, living cells by use of one or more KABPs.

  本发明的各种实施例涉及定向酶活性的探针（“KABPs”），它们能够结合并标记酶。每个KABP包括一个结合基团，该结合基团被一个或多个酶识别和结合，一个反应基团，它紧密、通常是不可逆地结合到酶上，一个标签基团，为酶-KABP配对提供可检测的标签，或者作为后续程序和过程的化学手柄，以及一个连接基团，将标签基团与一个或多个反应基团和结合基团连接起来，将标签基团与反应和结合基团分隔开来。本发明的其他实施例涉及使用一个或多个KABP在活细胞内识别和分离酶的方法。