[(2R,3S,4R,5R)-3,4-二羟基-5-(2-氧代-4-巯基嘧啶-1-基)四氢呋喃-2-基]甲基(羟基-膦酰氧基磷酰)磷酸氢酯 | 31556-28-2

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷酸
• 中文名称: [(2R,3S,4R,5R)-3,4-二羟基-5-(2-氧代-4-巯基嘧啶-1-基)四氢呋喃-2-基]甲基(羟基-膦酰氧基磷酰)磷酸氢酯
• 英文名称: 4-thio-UTP
• 英文别名: 4-Thiouridin-5'-triphosphat；[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• CAS: 31556-28-2
• 化学式: C₉H₁₅N₂O₁₄P₃S
• 分子量: 500.21
• InChiKey: GKVHYBAWZAYQDO-XVFCMESISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.2
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  274
• 氢给体数：
  7
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  2',3',5'-三乙酰尿苷 在 硫化氢 、 4-氯苯基二氯磷酸酯 作用下， 以 吡啶 、 ammonium hydroxide 、 乙醇 为溶剂， 反应 18.0h， 生成 [(2R,3S,4R,5R)-3,4-二羟基-5-(2-氧代-4-巯基嘧啶-1-基)四氢呋喃-2-基]甲基(羟基-膦酰氧基磷酰)磷酸氢酯
  参考文献：
  名称：

  4-Substituted Uridine 5′-Triphosphates as Agonists of the P_2Y2Purinergic Receptor

  摘要：

  Uridine 5'-O-triphosphate (UTP) is a potent agonist of the purinergic receptor designated P-2Y2. UTP is rapidly metabolized in human tissue. To find a compound with similar activity that may be more slowly metabolized, a series of 4-substituted uridine 5'-triphosphates were prepared and evaluated in a P-2Y2 receptor second messenger assay.

  DOI：

  10.1080/07328319708006141

文献信息

• POLY(PHOSPHOESTERS) FOR DELIVERY OF NUCLEIC ACIDS
  申请人：TRANSLATE BIO, INC.

  公开号：US20200277446A1

  公开（公告）日：2020-09-03

  Disclosed are polymers comprising the moiety A, which is a moiety of formula I: and pharmaceutically acceptable salts thereof, wherein R, R 1 , R 2 , L, n1 and n2 are as defined herein. These polymers are useful for delivering nucleic acids to subject. These polymers and pharmaceutically acceptable compositions comprising such polymers and nucleic acids can be useful for treating various diseases, disorders and conditions.

  揭示了包含A基团的聚合物，该基团是化学式I的基团：及其药用可接受的盐，其中R、R1、R2、L、n1和n2如本文所定义。这些聚合物对于将核酸传递给受试者是有用的。这些聚合物和包含这些聚合物和核酸的药用可接受组合物可用于治疗各种疾病、疾病和症状。
• [EN] CATIONIC LIPIDS COMPRISING AN HYDROXY MOIETY<br/>[FR] LIPIDES CATIONIQUES COMPRENANT UNE FRACTION HYDROXY
  申请人：TRANSLATE BIO INC

  公开号：WO2020257611A1

  公开（公告）日：2020-12-24

  Disclosed are lipids which are compounds of Formula I. Lipids provided herein can be useful for delivery and expression of mRNA and encoded protein, e.g., as a component of liposomal delivery vehicle, and accordingly can be useful for treating various diseases, disorders and conditions, such as those associated with deficiency of one or more proteins.

  本文披露的是化合物I的脂质。本文提供的脂质可用于传递和表达mRNA和编码蛋白，例如作为脂质体传递载体的组分，因此可用于治疗与一种或多种蛋白质缺乏相关的各种疾病、紊乱和症状。
• [EN] CATIONIC POLYMERS<br/>[FR] POLYMÈRES CATIONIQUES
  申请人：TRANSLATE BIO INC

  公开号：WO2019152802A1

  公开（公告）日：2019-08-08

  Disclosed are cationic polymers comprising monomers such as those described in Formula (I). Such polymers can be useful for the preparation of therapeutic compositions [e.g., compositions comprising nucleic acids such as m RNA). Additionally, therapeutic compositions comprising these cationic, biodegradable polymers can have improved properties and reduced toxicity.

  揭示了包括如公式(I)中所述单体的阳离子聚合物。这些聚合物可用于制备治疗性组合物（例如，包含核酸如mRNA的组合物）。此外，包含这些阳离子、可生物降解聚合物的治疗性组合物可能具有改善的性能和降低的毒性。
• [EN] POLYANIONIC DELIVERY OF NUCLEIC ACIDS<br/>[FR] ADMINISTRATION POLYANIONIQUE D'ACIDES NUCLÉIQUES
  申请人：TRANSLATE BIO INC

  公开号：WO2018165257A1

  公开（公告）日：2018-09-13

  Disclosed are dendritic anionic lipids which are compounds of Formula (I) : wherein R and R1 are non-polar groups, L is a linking moiety, and Dm is a dendritic moiety of m generations, each as defined herein. These dendritic anionic lipids are useful for delivery and expression of m RNA and encoded protein, e.g., as a component of liposomal delivery vehicle, and accordingly can be useful for treating various diseases, disorders and conditions, such as those associated with deficiency of one or more proteins.

  本发明涉及树突状阴离子脂质，其为式(I)的化合物：其中，R和R1为非极性基团，L为连接基团，Dm为m代的树突状基团，每个定义如本文所述。这些树突状阴离子脂质可用于传递和表达mRNA和编码蛋白质，例如作为脂质体传递载体的组分，并且因此可用于治疗与一个或多个蛋白质缺乏有关的各种疾病，障碍和病况。
• Biodegradable lipids for delivery of nucleic acids
  申请人：TRANSLATE BIO, INC.

  公开号：US10022455B2

  公开（公告）日：2018-07-17

  The present invention provides, in part, a biodegradable compound of formula I, and sub-formulas thereof: Formula (I) or a pharmaceutically acceptable salt thereof, where each X independently is O or S, each Y independently is O or S, and each R1 independently is defined herein; and a liposome composition comprising the cationic lipid of formula I or a sub-formula thereof, and methods of delivering agents, such as nucleic acids including mRNA, in vivo, by administering to a subject the liposome comprising the cationic lipid of formula I or a sub-formula thereof, where the agent is encapsulated within the liposome.

  本发明提供了一种生物可降解的化合物，其化学式为I，以及其子式：化学式（I）或其药学上可接受的盐，其中每个X独立地为O或S，每个Y独立地为O或S，每个R1独立地在此处定义；以及包含化学式I或其子式的阳离子脂质的脂质体组合物，以及通过向主体给予包含化学式I或其子式的阳离子脂质的脂质体来递送药剂（例如核酸，包括mRNA）的方法，在此过程中，药剂被封装在脂质体内。