3-hydroxy-2-pentyl-4H-benzopyran-4-one | 957271-74-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-hydroxy-2-pentyl-4H-benzopyran-4-one
• 英文别名: 3-hydroxy-2-pentylchromen-4-one
• CAS: 957271-74-8
• 化学式: C₁₄H₁₆O₃
• 分子量: 232.279
• InChiKey: QBUBFCMBETVQHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-oxo-2-pentyl-4H-chromen-3-yl benzoate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以65%的产率得到3-hydroxy-2-pentyl-4H-benzopyran-4-one
  参考文献：
  名称：

  Structure–activity relationship studies of flavonoids as potent inhibitors of human platelet 12-hLO, reticulocyte 15-hLO-1, and prostate epithelial 15-hLO-2

  摘要：

  Human lipoxygenase (hLO) isozymes have been implicated in a number of disease states and have attracted much attention with respect to their inhibition. One class of inhibitors, the flavonoids, have been shown to be potent lipoxygenase inhibitors but their study has been restricted to those compounds found in nature, which have limited structural variability. We have therefore carried out a comprehensive study to determine the structural requirements for flavonoid potency and selectivity against platelet 12-hLO, reticulocyte 15-hLO-1, and prostate epithelial 15-hLO-2. We conclude from this study that catechols are essential for high potency, that isoflavones and isoflavanones tend to select against 12-hLO, that isoflavans tend to select against 15-hLO-1, but few flavonoids target 15-hLO-2. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.07.036

文献信息

• 2-ARYL AND 2-HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES, NEW PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN
  申请人：Giordani Antonio

  公开号：US20110003861A1

  公开（公告）日：2011-01-06

  2-aryl and 2-heteroaryl 4h-1-benzopyran-4-one-6-amidino derivatives of formula (I) useful as pharmacological agents for the treatment of arthritis, cancer and related pain.

  2-芳基和2-杂环芳基4H-1-苯并吡喃-4-酮-6-氨基甲酰衍生物的化学式（I），可用作治疗关节炎、癌症和相关疼痛的药理剂。
• 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN
  申请人：Rottapharm S.p.A.

  公开号：EP2268628B1

  公开（公告）日：2012-05-16
• PQSR MODULATORS
  申请人：HELMHOLTZ-ZENTRUM FÜR INFEKTIONSFORSCHUNG GMBH

  公开号：US20170022165A1

  公开（公告）日：2017-01-26

  The present invention relates to compounds according to general formula (I); to pharmaceutical compositions comprising one or more of the compound(s); and to the use of the compound(s) as anti-infectives.
• US8372866B2
  申请人：——

  公开号：US8372866B2

  公开（公告）日：2013-02-12