5-[[[3-Methoxy-4-(5-oxazolyl)phenyl]amino]methylene]-2,2-dimethyl-1,3-dioxane-4, 6-dione | 371251-90-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-[[[3-Methoxy-4-(5-oxazolyl)phenyl]amino]methylene]-2,2-dimethyl-1,3-dioxane-4, 6-dione
• 英文别名: 5-[[[3-Methoxy-4-(5-oxazolyl)phenyl]amino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione；5-[[3-Methoxy-4-(1,3-oxazol-5-yl)anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
• CAS: 371251-90-0
• 化学式: C₁₇H₁₆N₂O₆
• 分子量: 344.324
• InChiKey: ZZCPLIFHRLWVRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  99.9
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5-[[[3-Methoxy-4-(5-oxazolyl)phenyl]amino]methylene]-2,2-dimethyl-1,3-dioxane-4, 6-dione 以 二苯醚 为溶剂， 反应 2.5h， 以95%的产率得到7-Methoxy-6-(5-oxazolyl)-4(1H)-quinolinone
  参考文献：
  名称：

  Novel inhibitors of IMPDH

  摘要：

  A series of novel quinolone-based small molecule inhibitors of inosine monophosphate dehydrogenase (IMPDH) was explored. The synthesis and the structure-activity relationships (SARs) derived from in vitro studies are described. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00944-7
• 作为产物：
  描述：

  5-(甲氧基甲烯基)-2,2-二甲基-1,3-二氧己环-4,6-二酮 、 3-甲氧基-4-(1,3-噁唑)苯胺 以 甲醇 为溶剂， 反应 0.25h， 以97%的产率得到5-[[[3-Methoxy-4-(5-oxazolyl)phenyl]amino]methylene]-2,2-dimethyl-1,3-dioxane-4, 6-dione
  参考文献：
  名称：

  Novel inhibitors of IMPDH

  摘要：

  A series of novel quinolone-based small molecule inhibitors of inosine monophosphate dehydrogenase (IMPDH) was explored. The synthesis and the structure-activity relationships (SARs) derived from in vitro studies are described. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00944-7

文献信息

• Heterocycles that are inhibitors of IMPDH enzyme
  申请人：——

  公开号：US20020040022A1

  公开（公告）日：2002-04-04

  Compounds of the formula 1 wherein X 1 is C(O), —S(O)—, or —S(O) 2 —; X 2 is CR 3 or N; X 3 is —NH—, —O—, or —S—; X 4 is CR 4 or N; X 5 is CR 5 or N; and X 6 is CR 6 or N are useful as inhibitors of IMPDH enzyme. Thus, these compounds can be used as therapeutic agents for IMPDH-associated disorders.

  公式1中的化合物，其中X1是C(O)、—S(O)—或—S(O)2—；X2是CR3或N；X3是—NH—、—O—或—S—；X4是CR4或N；X5是CR5或N；X6是CR6或N，可用作IMPDH酶的抑制剂。因此，这些化合物可作为治疗IMPDH相关疾病的治疗剂。
• US6919335B2
  申请人：——

  公开号：US6919335B2

  公开（公告）日：2005-07-19
• Novel inhibitors of IMPDH
  作者：Scott H. Watterson、Marianne Carlsen、T.G. Murali Dhar、Zhongqi Shen、William J. Pitts、Junqing Guo、Henry H. Gu、Derek Norris、John Chorba、Ping Chen、Daniel Cheney、Mark Witmer、Catherine A. Fleener、Katherine Rouleau、Robert Townsend、Diane L. Hollenbaugh、Edwin J. Iwanowicz

  DOI：10.1016/s0960-894x(02)00944-7

  日期：2003.2

  A series of novel quinolone-based small molecule inhibitors of inosine monophosphate dehydrogenase (IMPDH) was explored. The synthesis and the structure-activity relationships (SARs) derived from in vitro studies are described. (C) 2002 Elsevier Science Ltd. All rights reserved.