16-((3-hydroxypropyl)thio)hexadecanoic acid | 1350752-35-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 16-((3-hydroxypropyl)thio)hexadecanoic acid
• 英文别名: 16-(3-Hydroxypropylthio)hexadecanoic acid；16-(3-hydroxypropylsulfanyl)hexadecanoic acid
• CAS: 1350752-35-0
• 化学式: C₁₉H₃₈O₃S
• 分子量: 346.575
• InChiKey: ZGPSJDUDBCBCLE-UHFFFAOYSA-N

物化性质

• 沸点：
  489.8±15.0 °C(Predicted)
• 密度：
  0.995±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  23
• 可旋转键数：
  19
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  82.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  16-((3-hydroxypropyl)thio)hexadecanoic acid 、 (2-Cyano-1,3-benzothiazol-6-yl) carbonochloridate 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以10.1 mg的产率得到16-(3-((2-cyanobenzo[d]thiazol-6-yloxy)carbonyloxy)propylthio)hexadecanoic acid
  参考文献：
  名称：

  Compositions and Methods for in Vivo Imaging

  摘要：

  本公开提供了脂质探针化合物和含有这些化合物的组合物。一种脂质探针化合物可用于各种成像应用，也提供了这些应用。

  公开号：

  US20140199239A1
• 作为产物：
  描述：

  3-巯基-1-丙醇 、 16-溴十六烷酸 在 四丁基碘化铵 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以53%的产率得到16-((3-hydroxypropyl)thio)hexadecanoic acid
  参考文献：
  名称：

  Compositions and Methods for in Vivo Imaging

  摘要：

  本公开提供了脂质探针化合物和含有这些化合物的组合物。一种脂质探针化合物可用于各种成像应用，也提供了这些应用。

  公开号：

  US20140199239A1

文献信息

• [EN] NUCLEOSIDE PRODRUGS AND USES RELATED THERETO<br/>[FR] PROMÉDICAMENTS NUCLÉOSIDIQUES ET LEURS UTILISATIONS
  申请人：UNIV EMORY

  公开号：WO2021035214A1

  公开（公告）日：2021-02-25

  Disclosed are acyclic nucleoside prodrugs with improved metabolic stability and oral bioavailability. In general, the prodrugs are derivatives of acyclic nucleoside phosphonates containing a lipid-like moiety that can increase oral absorption and subsequent stability in the liver and plasma. Preferably, the lipid-like moiety can resist enzyme-mediated ω-oxidation, such as ω -oxidation catalyzed by cytochrome P450 enzymes. Also disclosed are pharmaceutical formulations of the acyclic nucleoside prodrugs. The acyclic nucleoside prodrugs and pharmaceutical formulations thereof can be used to treat viral infections, such as HIV infections, and/or viral-associated cancer, such as HPV-associated cancers.

  揭示了具有改善代谢稳定性和口服生物利用度的非环核苷前药。一般来说，这些前药是非环核苷膦酸酯的衍生物，含有类似脂质的基团，可以增加口服吸收并在肝脏和血浆中提高稳定性。最好，类似脂质的基团可以抵抗酶介导的ω-氧化，例如细胞色素P450酶催化的ω-氧化。还揭示了非环核苷前药的药物配方。这些非环核苷前药及其药物配方可用于治疗病毒感染，如HIV感染，和/或病毒相关癌症，如HPV相关癌症。
• COMPOSITIONS AND METHODS FOR IN VIVO IMAGING
  申请人：The Regents of the University of California

  公开号：US20150343094A1

  公开（公告）日：2015-12-03

  The present disclosure provides lipid-probe compounds, and compositions comprising the compounds. A subject lipid-probe compound is useful for various imaging applications, which are also provided.

  本公开提供脂质探针化合物和包含该化合物的组合物。所述脂质探针化合物对于各种成像应用非常有用，该应用也提供了。
• Compositions and methods for in vivo imaging
  申请人：The Regents of the University of California

  公开号：US10010629B2

  公开（公告）日：2018-07-03

  The present disclosure provides lipid-probe compounds, and compositions comprising the compounds. A subject lipid-probe compound is useful for various imaging applications, which are also provided.

  本公开提供了脂质探针化合物以及包含该化合物的组合物。所涉及的脂质探针化合物可用于各种成像应用，这些应用也已提供。
• NUCLEOSIDE PRODRUGS AND USES RELATED THERETO
  申请人：Emory University

  公开号：EP4017499A1

  公开（公告）日：2022-06-29
• Nucleoside Prodrugs and Uses Related Thereto
  申请人：Emory University

  公开号：US20220298185A1

  公开（公告）日：2022-09-22

  Disclosed are acyclic nucleoside prodrugs with improved metabolic stability and oral bioavailability. In general, the prodrugs are derivatives of acyclic nucleoside phosphonates containing a lipid-like moiety that can increase oral absorption and subsequent stability in the liver and plasma. Preferably, the lipid-like moiety can resist enzyme-mediated ω-oxidation, such as ω-oxidation catalyzed by cytochrome P450 enzymes. Also disclosed are pharmaceutical formulations of the acyclic nucleoside prodrugs. The acyclic nucleoside prodrugs and pharmaceutical formulations thereof can be used to treat viral infections, such as HIV infections, and/or viral-associated cancer, such as HPV-associated cancers.