(2-Oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) 4-bromobenzoate

• 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: (2-Oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) 4-bromobenzoate
• 化学式: C₁₄H₉BrO₅
• 分子量: 337.126
• InChiKey: XICXFFJDFFKUFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  棒曲霉素 、 4-溴苯甲酰氯 以 二氯甲烷 、 乙腈 为溶剂， 以11 mg的产率得到(2-Oxo-4,6-dihydrofuro[3,2-c]pyran-4-yl) 4-bromobenzoate
  参考文献：
  名称：

  Isolation and structure of SCH 351633: a novel hepatitis C virus (HCV) NS3 protease inhibitor from the fungus Penicillium griseofulvum

  摘要：

  A new hepatitis C virus (HCV) protease inhibitor designated as Sch 351633 (1) was isolated from the fungus, Penicillium griseofulvum. Structure elucidation of 1 was accomplished by analysis of spectroscopic data, which determined compound 1 to be a bicyclic hemiketal lactone, compound 1 exhibited inhibitory activity in the HCV protease assay with an IC50 value of 3.8 mu g/mL. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00321-2

文献信息

• Isolation and structure of SCH 351633: a novel hepatitis C virus (HCV) NS3 protease inhibitor from the fungus Penicillium griseofulvum
  作者：Min Chu、Ronald Mierzwa、Ling He、Arthur King、Mahesh Patel、John Pichardo、Andrea Hart、Nancy Butkiewicz、Mohindar S. Puar

  DOI：10.1016/s0960-894x(99)00321-2

  日期：1999.7

  A new hepatitis C virus (HCV) protease inhibitor designated as Sch 351633 (1) was isolated from the fungus, Penicillium griseofulvum. Structure elucidation of 1 was accomplished by analysis of spectroscopic data, which determined compound 1 to be a bicyclic hemiketal lactone, compound 1 exhibited inhibitory activity in the HCV protease assay with an IC50 value of 3.8 mu g/mL. (C) 1999 Elsevier Science Ltd. All rights reserved.