(4aR,7R,7aR)-6-Amino-2,2-dimethyl-tetrahydro-furo[3,2-d][1,3]dioxin-7-ol | 52485-56-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃二恶英
• 英文名称: (4aR,7R,7aR)-6-Amino-2,2-dimethyl-tetrahydro-furo[3,2-d][1,3]dioxin-7-ol
• 英文别名: (4aR,7R,7aR)-6-amino-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
• CAS: 52485-56-0
• 化学式: C₈H₁₅NO₄
• 分子量: 189.211
• InChiKey: LUCBYKOFTFHLEH-FTFTVQOISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  73.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4aR,7R,7aR)-6-Amino-2,2-dimethyl-tetrahydro-furo[3,2-d][1,3]dioxin-7-ol 在 碘 作用下， 以 甲苯 为溶剂， 生成 3,5-O-isopropylidene-2'-p-nitrostyryl-α-D-xylofuranoso<1,2-d>-Δ2'-oxazoline
  参考文献：
  名称：

  嘌呤，嘧啶和咪唑。第57部分：某些恶唑啉基-木呋喃糖衍生物的反应

  摘要：

  2'-甲基-3,5- ö异亚丙基α- d -xylofuranoso [1,2 d ]-Δ 2 '恶唑发生反应与苯甲醛，p -nitrobenzaldehyde，和茴香醛，得到2'-苯乙烯基，2- ' - p -nitrostyryl-，或2'- p -methoxystyryl -3,5- ö异亚丙基α- d -xylofuranoso [1,2 d ]-Δ 2 '-oxazolines。3,5- ø异亚丙基d -xylofuranosylamine与二硫化碳，得到2'-巯基-3,5- ö异亚丙基α-Δ-xylofuranoso [1,2 d ]-Δ 2'恶唑，甲基化，其产生的2'-甲硫基-唑啉，这是脱硫，得到3,5- ö异亚丙基α- d -xylofuranoso [1,2 d ]-Δ 2 ' -恶唑啉。与xylosylamine p -tolylsulphonylaminoaceti

  DOI：

  10.1039/p19810000657
• 作为产物：
  描述：

  (2R,3S,4R,5S)-2-aminooxane-3,4,5-triol 、 2,2-二甲氧基丙烷 在 对甲苯磺酸 作用下， 以 丙酮 为溶剂， 反应 0.25h， 以2 g的产率得到(4aR,7R,7aR)-6-Amino-2,2-dimethyl-tetrahydro-furo[3,2-d][1,3]dioxin-7-ol
  参考文献：
  名称：

  Posaconazole derivative, pharmaceutical composition and use thereof

  摘要：

  本公开提供一种泊沙康唑衍生物、药物组合物及其用途，具体包括下式（I）所代表的化合物，其外消旋体、立体异构体、互变异构体、氧氮化物或其药学上可接受的盐： 本公开的化合物具有强大的抗真菌活性、高安全性和良好的水溶性，无需添加共溶剂（如羟丙基-β-环糊精、磺基丁醚-β-环糊精等），避免潜在的安全风险。此外，该化合物的配方过程可能更加简单且成本更低，因此可用于制备改良的抗真菌药物。

  公开号：

  US10517867B2

文献信息

• TRIAZOLE ANTIMICROBIAL DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF
  申请人：WUHAN LL SCIENCE AND TECHNOLOG DEVELOPMENT CO.,LTD.

  公开号：US20190382375A1

  公开（公告）日：2019-12-19

  The present disclosure provides a triazole antibacterial derivative and a pharmaceutical composition thereof and a use thereof and in particular relates to a compound represented by the following formula (I), and a racemate, a stereoisomer, a tautomer, an oxynitride or a pharmaceutically acceptable salt thereof: The compound of the present disclosure has a desirable water solubility and can be formulated into an injection for use without adding a cosolvent having a potential safety risk (such as hydroxypropyl-β-cyclodextrin, sulfobutylether-β-cyclodextrin, and the like), facilitating drug administration for patients, and greatly improving clinical safety. The drug can be used even by patients with moderate or severe renal impairment, thereby expanding the application scope of the drug.

  本公开提供了一种三唑类抗菌衍生物及其药物组合物和使用方法，特别涉及以下式(I)所代表的化合物，以及其外消旋体、立体异构体、互变异构体、氧氮化物或药学上可接受的盐： 本公开的化合物具有良好的水溶性，可以制成注射剂，无需添加潜在安全风险的共溶剂（如羟丙基-β-环糊精、磺丁基醚-β-环糊精等），有助于患者用药，极大地提高了临床安全性。该药物甚至可以供中度或重度肾功能损害的患者使用，从而扩大了药物的应用范围。
• Triazole antimicrobial derivative, pharmaceutical composition and use thereof
  申请人：WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD.

  公开号：US11040958B2

  公开（公告）日：2021-06-22

  The present disclosure provides a triazole antibacterial derivative and a pharmaceutical composition thereof and a use thereof and in particular relates to a compound represented by the following formula (I), and a racemate, a stereoisomer, a tautomer, an oxynitride or a pharmaceutically acceptable salt thereof: The compound of the present disclosure has a desirable water solubility and can be formulated into an injection for use without adding a cosolvent having a potential safety risk (such as hydroxypropyl-β-cyclodextrin, sulfobutylether-β-cyclodextrin, and the like), facilitating drug administration for patients, and greatly improving clinical safety. The drug can be used even by patients with moderate or severe renal impairment, thereby expanding the application scope of the drug.

  本公开提供了一种三唑类抗菌衍生物及其药物组合物和用途，尤其涉及下式（I）代表的化合物及其外消旋体、立体异构体、同系物、氧氮化物或药学上可接受的盐： 本公开的化合物具有理想的水溶性，无需添加具有潜在安全风险的助溶剂（如羟丙基-β-环糊精、磺丁基醚-β-环糊精等）即可配制成注射剂使用，方便患者用药，大大提高了临床安全性。即使是中度或重度肾功能损害的患者也可以使用该药物，从而扩大了药物的应用范围。
• POSACONAZOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF
  申请人：WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD.

  公开号：US20190038621A1

  公开（公告）日：2019-02-07

  The present disclosure provides a posaconazole derivative, a pharmaceutical composition and use thereof, which specifically include a compound represented by the following formula (I), a racemate, stereoisomer, tautomer, oxynitride, or a pharmaceutically acceptable salt thereof: The compounds of the present disclosure have strong antifungal activity, high safety, and good water solubility, without the need for the addition of a cosolvent (such as hydroxypropyl-β-cyclodextrin, sulfobutyl ether-β-cyclodextrin, and the like) with potential safety risks. Furthermore, the formulation process of the compound could have less difficulty and less cost, and therefore can be used to prepare improved antifungal drugs.