2-氧杂双环(3.2.1)辛-3,6-二烯 | 4729-06-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环化合物
• 中文名称: 2-氧杂双环(3.2.1)辛-3,6-二烯
• 英文名称: 2-oxabicyclo[3.2.1]octa-3,6-diene
• 英文别名: 2-Oxa-Bicyclo<3.2.1>octa-3,6-dien
• CAS: 4729-06-0
• 化学式: C₇H₈O
• 分子量: 108.14
• InChiKey: JPFHUVOCZRXQMU-UHFFFAOYSA-N

物化性质

• 沸点：
  163.4±20.0 °C(Predicted)
• 密度：
  1.075±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2,5-降冰片二烯 在 过氧乙酸 、 sodium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 2-氧杂双环(3.2.1)辛-3,6-二烯 、 bicyclo[3.1.0]hex-2-en-6-endo-carboxaldehyde
  参考文献：
  名称：

  Kim, Won; Kim, Hyangdug; Rhee, Hakjune, Heterocycles, 2000, vol. 53, # 1, p. 219 - 224

  摘要：

  DOI：

文献信息

• Inhibitors of Dihydrofolate Reductase With Antibacterial Antiprotozoal, Antifungal and Anticancer Properties
  申请人：Anderson Amy C.

  公开号：US20090105287A1

  公开（公告）日：2009-04-23

  The compositions and methods described herein discloses the design, synthesis and testing of compounds that act as inhibitors of DHFR. The basic scaffold of these inhibitors includes a 2,4-diaminopyrimidine ring with a propargyl linker to another substituted aryl, bicyclo or heteroaryl ring. These DHFR inhibitors are potent and selective for many different pathogenic organisms, including the DHFR enzyme from bacteria such as Bacillus anthracis and methicillin-resistant Staphylococcus aureus , fungi such as Candida glabrata, Candida albicans and Cryptococcus neoformans and protozoa such as Cryptosporidium hominis and Toxoplasma gondii . These compounds and other similar compounds are also potent against the mammalian enzyme and may be useful as anti-cancer therapeutics.

  本文描述的组合物和方法揭示了设计、合成和测试作为DHFR抑制剂的化合物。这些抑制剂的基本骨架包括一个2,4-二氨基嘧啶环，带有一个丙炔基连接到另一个取代芳基、双环或杂环芳基环。这些DHFR抑制剂对许多不同的病原体具有强大的选择性作用，包括来自细菌如炭疽芽胞杆菌和耐甲氧西林金黄色葡萄球菌、真菌如白色假丝酵母、白念珠菌和新生隐球菌，以及原虫如人类隐孢子虫和弓形虫的DHFR酶。这些化合物和其他类似化合物也对哺乳动物酶具有强大的作用，可能有助于作为抗癌治疗药物。
• HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE
  申请人：Anderson Amy C.

  公开号：US20120196859A1

  公开（公告）日：2012-08-02

  The compositions and methods described herein disclose the design, synthesis and testing of compounds that act as inhibitors of DHFR. The basic scaffold of these inhibitors includes a 2,4-diaminopyrimidine ring with a propargyl linker to another substituted aryl, bicyclo or heteroaryl ring. These DHFR inhibitors are potent and selective for many different pathogenic organisms, including the DHFR enzyme from bacteria such as Bacillus anthracis and methicillin-resistant Staphylococcus aureus , fungi such as Candida glabrata, Candida albicans and Cryptococcus neoformans and protozoa such as Cryptosporidium hominis and Toxoplasma gondii . These compounds and other similar compounds are also potent against the mammalian enzyme and may be useful as anti-cancer therapeutics.

  本文所描述的组合物和方法揭示了设计、合成和测试作为DHFR抑制剂的化合物。这些抑制剂的基本骨架包括一个2,4-二氨基嘧啶环，带有一个丙炔基连接到另一个取代芳基、双环或杂环环上。这些DHFR抑制剂对许多不同的病原微生物具有强效和选择性作用，包括来自细菌（如炭疽芽孢杆菌和甲氧西林耐药金黄色葡萄球菌）、真菌（如光滑念珠菌、白色念珠菌和新生隐球菌）和原虫（如人类隐孢子虫和弓形虫）的DHFR酶。这些化合物和其他类似化合物也对哺乳动物酶具有强效作用，可能有用作抗癌治疗药物。
• US8426432B2
  申请人：——

  公开号：US8426432B2

  公开（公告）日：2013-04-23
• US8853228B2
  申请人：——

  公开号：US8853228B2

  公开（公告）日：2014-10-07
• [EN] INHIBITORS OF DIHYDROFOLATE REDUCTASE WITH ANTIBACTERIAL ANTIPROTOZOAL, ANTIFUNGAL AND ANTICANCER PROPERTIES<br/>[FR] INHIBITEURS DE DIHYDROFOLATE RÉDUCTASE PRÉSENTANT DES PROPRIÉTÉS ANTIBACTÉRIENNES, ANTIPROTOZOAIRES, ANTIFONGIQUES ET ANTICANCÉREUSES
  申请人：UNIV CONNECTICUT

  公开号：WO2009025919A2

  公开（公告）日：2009-02-26

  The compositions and methods described herein discloses the design, synthesis and testing of compounds of formulae I or Ia that act as inhibitors of DHFR. The basic scaffold of these inhibitors includes a 2, 4-diaminopyrimidine ring with a propargyl linker to another substituted aryl, bicyclo or heteroaryl ring. These DHFR inhibitors are potent and selective for many different pathogenic organisms, including the DHFR enzyme from bacteria such as Bacillus anthracis and methicillin- resistant Staphylococcus aureus, fungi such as Candida glabrata, Candida albicans and Cryptococcus neoformans and protozoa such as Cryptosporidium hominis and Toxoplasma gondii. These compounds and other similar compounds are also potent against the mammalian enzyme and may be useful as anti- cancer therapeutics.