2-(3-Hydroxy-2-(2-phenoxyacetamido)-2,3-dihydrothiazol-4-yl)acetic acid | 1056651-84-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(3-Hydroxy-2-(2-phenoxyacetamido)-2,3-dihydrothiazol-4-yl)acetic acid
• 英文别名: 2-[3-hydroxy-2-(2-phenoxyacetyl)imino-1,3-thiazol-4-yl]acetic acid
• CAS: 1056651-84-3
• 化学式: C₁₃H₁₂N₂O₅S
• 分子量: 308.315
• InChiKey: QXVSJDRBRXTZGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  ethyl 2-(3-hydroxy-2-((2-phenoxyacetyl)imino)-2,3-dihydrothiazol-4-yl)acetate 在 sodium hydroxide 、 水 作用下， 以 四氢呋喃 为溶剂， 生成 2-(3-Hydroxy-2-(2-phenoxyacetamido)-2,3-dihydrothiazol-4-yl)acetic acid
  参考文献：
  名称：

  Discovery of novel hydroxy-thiazoles as HIF-α prolyl hydroxylase inhibitors: SAR, synthesis, and modeling evaluation

  摘要：

  Inhibition of the PHD2 enzyme has been associated with increased red blood cell levels. From a screening hit, a series of novel hydroxyl-thiazoles were developed as potent PHD2 inhibitors. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.031

文献信息

• Discovery of novel hydroxy-thiazoles as HIF-α prolyl hydroxylase inhibitors: SAR, synthesis, and modeling evaluation
  作者：Christopher M. Tegley、Vellarkad N. Viswanadhan、Kaustav Biswas、Michael J. Frohn、Tanya A.N. Peterkin、Catherine Chang、Roland W. Bürli、Jennifer H. Dao、Henrike Veith、Norma Rogers、Sean C. Yoder、Gloria Biddlecome、Philip Tagari、Jennifer R. Allen、Randall W. Hungate

  DOI：10.1016/j.bmcl.2008.06.031

  日期：2008.7

  Inhibition of the PHD2 enzyme has been associated with increased red blood cell levels. From a screening hit, a series of novel hydroxyl-thiazoles were developed as potent PHD2 inhibitors. (C) 2008 Elsevier Ltd. All rights reserved.