4-(2-Cyclopropyl-thiazol-5-yl)-dihydro-pyran-2,6-dione | 877385-84-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 4-(2-Cyclopropyl-thiazol-5-yl)-dihydro-pyran-2,6-dione
• 英文别名: 4-(2-cyclopropyl-1,3-thiazol-5-yl)oxane-2,6-dione
• CAS: 877385-84-7
• 化学式: C₁₁H₁₁NO₃S
• 分子量: 237.279
• InChiKey: ZLOOZIKXJYAZFX-UHFFFAOYSA-N

物化性质

• 沸点：
  452.4±38.0 °C(Predicted)
• 密度：
  1.434±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.97
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  56.26
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-(2-Cyclopropyl-thiazol-5-yl)-dihydro-pyran-2,6-dione 在 盐酸 、 草酰氯 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醚 、 二氯甲烷 为溶剂， 生成 Ethyl 3-(2-cyclopropyl-1,3-thiazol-5-yl)-4-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,3-thiazol-4-yl]butanoate
  参考文献：
  名称：

  Synthesis of 2,5-thiazole butanoic acids as potent and selective αvβ3 integrin receptor antagonists with improved oral pharmacokinetic properties

  摘要：

  We describe a series of 2,5 thiazole containing compounds, which are potent antagonists of the integrin alpha(V)beta(3) and show selectivity relative to the other integrins, such as alpha(IIB)beta(3) and alpha(V)beta(6). These analogs were demonstrated to have high bioavailability relative to other relative heterocyclic analogs. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.017
• 作为产物：
  描述：

  3-(2-Cyclopropyl-thiazol-5-yl)-pentanedioic acid 在 乙酸酐 作用下， 生成 4-(2-Cyclopropyl-thiazol-5-yl)-dihydro-pyran-2,6-dione
  参考文献：
  名称：

  Synthesis of 2,5-thiazole butanoic acids as potent and selective αvβ3 integrin receptor antagonists with improved oral pharmacokinetic properties

  摘要：

  We describe a series of 2,5 thiazole containing compounds, which are potent antagonists of the integrin alpha(V)beta(3) and show selectivity relative to the other integrins, such as alpha(IIB)beta(3) and alpha(V)beta(6). These analogs were demonstrated to have high bioavailability relative to other relative heterocyclic analogs. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.017

文献信息

• Convergent, parallel synthesis of a series of β-substituted 1,2,4-oxadiazole butanoic acids as potent and selective αvβ3 receptor antagonists
  作者：Mark L. Boys、Lori A. Schretzman、Nizal S. Chandrakumar、Michael B. Tollefson、Scott B. Mohler、Victoria L. Downs、Thomas D. Penning、Mark A. Russell、John A. Wendt、Barbara B. Chen、Heather G. Stenmark、Hongwei Wu、Dale P. Spangler、Michael Clare、Bipin N. Desai、Ish K. Khanna、Maria N. Nguyen、Tiffany Duffin、V. Wayne Engleman、Mary Beth Finn、Sandra K. Freeman、Melanie L. Hanneke、Jeffery L. Keene、Jon A. Klover、G. Allen Nickols、Maureen A. Nickols、Christina N. Steininger、Marisa Westlin、William Westlin、Yi X. Yu、Yaping Wang、Christopher R. Dalton、Sarah A. Norring

  DOI：10.1016/j.bmcl.2005.11.008

  日期：2006.2

  We describe a series of 1,2,4-oxadiazoles, which are potent antagonists of the integrin alpha(V)beta(3) and, in addition, show selectivity relative to the other beta(3) integrin alpha(IIB)beta(3). In whole cells, the majority of these analogs also demonstrated modest selectivity against other alpha(V), integrins such as alpha(V)beta(1) and alpha(V)beta(6). (c) 2005 Elsevier Ltd. All rights reserved.