1-(6'-Deoxy-β-D-allofuranosyl)uracil | 1246254-88-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(6'-Deoxy-β-D-allofuranosyl)uracil
• 英文别名: 5'-Methyluridine；1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione
• CAS: 1246254-88-5
• 化学式: C₁₀H₁₄N₂O₆
• 分子量: 258.231
• InChiKey: XEVWBBJJPSWWCS-KCRXGDJASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  119
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION
  申请人：Manoharan Muthiah

  公开号：US20120035115A1

  公开（公告）日：2012-02-09

  The invention features compounds of formula I or II: In one embodiment, the invention relates compounds and processes for conjugating ligand to oligonucleotide. The invention further relates to methods for treating various disorders and diseases such as viral infections, bacterial infections, parasitic infections, cancers, allergies, autoimmune diseases, immunodeficiencies and immunosuppression.

  该发明涉及公式I或II的化合物：在一种实施方式中，该发明涉及化合物和用于将配体与寡核苷酸结合的过程。该发明进一步涉及治疗各种疾病和疾病的方法，例如病毒感染、细菌感染、寄生虫感染、癌症、过敏、自身免疫疾病、免疫缺陷和免疫抑制。
• SUBSTITUTED NUCLEOTIDE ANALOGS
  申请人：Beigelman Leonid

  公开号：US20120070411A1

  公开（公告）日：2012-03-22

  Disclosed herein are phosphoroamidate nucleotide analogs, methods of synthesizing phosphoroamidate nucleotide analogs and methods of treating diseases and/or conditions such as viral infections, cancer, and/or parasitic diseases with the phosphoroamidate nucleotide analogs.

  本文揭示了磷酰胺核苷类似物、合成磷酰胺核苷类似物的方法以及使用磷酰胺核苷类似物治疗病毒感染、癌症和/或寄生虫病等疾病和/或病况的方法。
• Modified iRNA agents
  申请人：Manoharan Muthiah

  公开号：US20050164235A1

  公开（公告）日：2005-07-28

  The invention relates to iRNA agents, which preferably include a monomer in which the ribose moiety has been replaced by a moiety other than ribose. The inclusion of such a monomer can allow for modulation of a property of the iRNA agent into which it is incorporated, e.g., by using the non-ribose moiety as a point to which a ligand or other entity, e.g., a carbohydrate; or a steroid, e.g., cholesterol, which is optionally substituted with at least one carbohydrate. is directly, or indirectly, tethered. The invention also relates to methods of making and using such modified iRNA agents.

  本发明涉及iRNA代理，其中最好包括一个单体，其中核糖基团已被替换为除核糖外的基团。包含这样一个单体可以允许调节iRNA代理的某个性质，例如，通过使用非核糖基团作为配体或其他实体（例如，碳水化合物；或类固醇，例如胆固醇，可选择地用至少一个碳水化合物取代）的点，直接或间接地被捆绑。本发明还涉及制备和使用这种修改后的iRNA代理的方法。
• Folate Conjugates
  申请人：Manoharan Muthiah

  公开号：US20090247614A1

  公开（公告）日：2009-10-01

  The present invention provides iRNA agent including at least one monomer having the structure shown in formula (I′) wherein: A and B are each independently for each occurrence O, N(R N ) or S; X is H, a protecting group, a phosphate group, a phosphodiester group, an activated phosphate group, an activated phosphite group, a phosphoramidite, a solid support, —P(Z′)(Z″)O-nucleoside, —P(Z′)(Z″)O-oligonucleotide, a lipid, a PEG, a steroid, a polymer, —P(Z′)(Z″)O-L 6 -Q′-L 7 -OP(Z′″)(Z″″)O-oligonucleotide, a nucleotide, or an oligonucleotide; Y is H, a protecting group, a phosphate group, a phosphodiester group, an activated phosphate group, an activated phosphite group, a phosphoramidite, a solid support, —P(Z′)(Z″)O-nucleoside, —P(Z′)(Z″)O-oligonucleotide, a lipid, a PEG, a steroid, a lipophile, a polymer, —P(Z′)(Z″)O-L 6 -Q′-L 7 -OP(Z′″)(Z″″)O-oligonucleotide, a nucleotide, or an oligonucleotide; R is folate, a folate analog a folate mimic or a folate receptor binding ligand; L 6 and L 1 are each independently for each occurrence —(CH 2 ) n —, —C(R′)(R″)(CH 2 ) n —, —(CH 2 ) n C(R′)(R″)—, —(CH 2 CH 2 O) m CH 2 CH 2 —, or —(CH 2 CH 2 O) m CH 2 CH 2 NH—; Q′ is NH, O, S, CH 2 , C(O)O, C(O)NH, —NH—CH(R a )—C(O)—, —C(O)—CH(R a )—NH—, CO, where R a is H or amino acid side; chain. R′ and R″ are each independently H, CH 3 , OH, SH, NH 2 , NH(Alkyl=Me, Et, Pr, isoPr, Bu, Bn) or N(diAlkyl=Me 2 , Et 2 , Bn 2 ); Z′, Z″, Z′″ and Z″″ are independently O or S; n represent independently for each occurrence 1-20; and m represent independently for each occurrence 0-50.

  本发明提供了iRNA试剂，包括至少一个单体，其结构如式（I'）所示，其中：A和B分别独立于每个出现的O、N（RN）或S；X是H、保护基、磷酸基、磷酸二酯基、活性磷酸基、活性磷酸酯基、磷酰胺基、固体支持、-P（Z'）（Z"）O-核苷、-P（Z'）（Z"）O-寡核苷酸、脂质、PEG、类固醇、聚合物、-P（Z'）（Z"）O-L6-Q' -L7-OP（Z' "）（Z" "）O-寡核苷酸、核苷酸或寡核苷酸；Y是H、保护基、磷酸基、磷酸二酯基、活性磷酸基、活性磷酸酯基、磷酰胺基、固体支持、-P（Z'）（Z"）O-核苷、-P（Z'）（Z"）O-寡核苷酸、脂质、PEG、类固醇、亲脂性物质、聚合物、-P（Z'）（Z"）O-L6-Q' -L7-OP（Z' "）（Z" "）O-寡核苷酸、核苷酸或寡核苷酸；R是叶酸、叶酸类似物、叶酸模拟物或叶酸受体结合配体；L6和L1分别独立于每个出现的-（CH2）n-、-C（R'）（R"）（ ）n-、-（ ）nC（R'）（R"）-、-（ O）m -或-（ O）m NH-；Q'是NH、O、S、 、C（O）O、C（O）NH、-NH-CH（Ra）-C（O）-、-C（O）-CH（Ra）-NH-、CO，其中Ra是H或氨基酸侧链；R'和R"各自独立于H、CH3、OH、SH、NH2、NH（Alkyl=Me、Et、Pr、isoPr、Bu、Bn）或N（diAlkyl=Me2、Et2、Bn2）；Z'、Z"、Z' "和Z" "各自独立于O或S；n独立于每个出现的1-20；m独立于每个出现的0-50。
• SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS
  申请人：Beigelman Leonid

  公开号：US20100249068A1

  公开（公告）日：2010-09-30

  Disclosed herein are nucleotide analogs with protected phosphates, methods of synthesizing nucleotide analogs with protected phosphates and methods of treating diseases and/or conditions such as viral infections, cancer, and/or parasitic diseases with the nucleotide analogs with protected phosphates.

  本文公开了一种具有保护磷酸酯的核苷酸类似物，合成具有保护磷酸酯的核苷酸类似物的方法以及使用具有保护磷酸酯的核苷酸类似物治疗病毒感染、癌症和/或寄生虫病等疾病和/或病况的方法。