2- deoxycytidine | 157049-38-2

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: 2- deoxycytidine
• 英文别名: Cytosine deoxyribonucleoside；4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
• CAS: 157049-38-2
• 化学式: C₉H₁₃N₃O₄
• mdl: MFCD00066875
• 分子量: 227.22
• InChiKey: CKTSBUTUHBMZGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.555
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2- deoxycytidine 、 碘甲基硼酸频哪醇酯 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 96.0h， 生成 N(4)-[B-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan)methyl]-2'-deoxycytidine
  参考文献：
  名称：

  Synthesis, reactivity and biological activity of N(4)-boronated derivatives of 2′-deoxycytidine

  摘要：

  By seeking new stable boron-containing nucleoside derivatives, potential BNCT boron delivery agents, a novel synthetic approach was tested, aimed at a boron attachment via a single bond to an aliphatic carbon of sp(3) hybridization. The latter allowed successful modification of deoxycytidine in the reaction with 2-(iodomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane of the deoxynucleoside amino group. For new compounds, detailed NMR, LDI HRMS (Laser Desorption/Ionization High-Resolution Mass Spectrometry) analyses along with in vivo phosphorylation studies, toxicity assays and DFT modelling are presented.

  DOI：

  10.1016/j.bmc.2014.06.014

文献信息

• THERAPEUTIC SUBSTANCES THAT MODULATE GENOME METHYLATION
  申请人：Shchepinov Mikhail S.

  公开号：US20110082100A1

  公开（公告）日：2011-04-07

  Compounds containing nucleic acid bases or their precursors modified by enrichment at specific sites with heavy stable isotopes of elements naturally present at those sites in minute amount are useful for the treatment of diseases characterized by altered gene expression and altered pattern of epigenomic control. These compounds, when used as nutrients or in other medicinal application methods, can alter the DNA methylation pattern in a simple way through the well-understood mechanism of kinetic isotope effect (KIE). This effect could also be useful for modifying methylation kinetics in stem cell technology, cloning and as disease therapeutics.

  含有核酸碱基或其前体物的化合物，通过在特定位点富集天然存在于极微量的元素的重稳定同位素修饰，可用于治疗表现为基因表达和表观基因组控制模式改变的疾病。当这些化合物用作营养物质或其他药用应用方法时，可以通过已知的动力学同位素效应机制（KIE）简单地改变DNA甲基化模式。这种效应也可以用于改变干细胞技术、克隆和疾病治疗中的甲基化动力学。
• Compounds for immunopotentiation
  申请人：Valiante Nicholas

  公开号：US20100226931A1

  公开（公告）日：2010-09-09

  Methods of stimulating an immune response and treating patients responsive thereto with 3,4-di(1H-indol-3-yl)-1H-pyrrole-2,5-diones, staurosporine analogs, derivatized pyridazines, chromen-4-ones, indolinones, quinazolines, nucleoside analogs, and other small molecules are disclosed. In a preferred embodiment benzopyrimidine derivatives such as ZD-6474, MLN-518, lapatinib, gefitinib or erlotinib are used.

  本发明公开了刺激免疫反应和治疗对3,4-二（1H-吲哚-3-基）-1H-吡咯-2,5-二酮，链霉菌素类似物，衍生的吡啶并嗪，香豆素-4-酮，吲哚酮，喹唑啉，核苷类似物和其他小分子具有响应性的患者。在一种优选实施方式中，使用苯并嘧啶衍生物，例如ZD-6474，MLN-518，拉帕替尼，吉非替尼或厄洛替尼。
• COMPOUNDS
  申请人：DU JINFA

  公开号：US20120142626A1

  公开（公告）日：2012-06-07

  Disclosed herein are 2′-spiro-nucleosides and derivatives thereof useful for treating a subject infected by hepatitis C virus or dengue virus.

  本文公开了2'-螺环核苷及其衍生物，用于治疗感染丙型肝炎病毒或登革热病毒的患者。
• METHOD OF OBTAINING OF 4-N-FURFURYLCYTOSINE AND/OR ITS DERIVATIVES, AN ANTI-AGING COMPOSITION AND USE OF 4-N-FURFURYLCYTOSINE AND/OR ITS DERIVATIVES IN THE MANUFACTURE OF ANTI-AGING COMPOSITION
  申请人：Barciszewski Jan

  公开号：US20100317612A1

  公开（公告）日：2010-12-16

  The subjects of the present invention are the method of preparation of 4-furfurylcytosine and/or its derivatives, its use in the manufacture of anti-aging compositions and an anti-aging composition. As 4-furfurylcytosine and/or its derivatives possesses a series of biological properties it might be use as a composition having excellent anti-aging effect to prevent the sagging of skin and loss of luster and to improve sufficiently its aesthetic appearance without significantly change the growth rate and the total growth ability of the skin. Optimal methods of manufacturing this compound, while at the same time obtaining the highest possible process efficiency, with particular emphasis on its utility in the pharmaceutical and cosmetic industries are presented.

  本发明的主题是制备4-糠基胞嘧啶和/或其衍生物的方法，其用于制造抗衰老组合物和一种抗衰老组合物。由于4-糠基胞嘧啶和/或其衍生物具有一系列生物特性，因此它可能被用作具有出色抗衰老效果的组合物，以防止皮肤松弛和光泽丧失，并充分改善其美观外观，而不会显着改变皮肤的生长速率和总生长能力。本文介绍了制造这种化合物的最佳方法，同时获得最高的工艺效率，特别强调其在制药和化妆品行业中的实用性。
• PALLADIUM-COPPER CATALYSTS FOR THE HOMOGENEOUS SELECTIVE OXIDATION OF THIOL GROUPS
  申请人："Ivy Pharm" Limited Liability Company

  公开号：EP2664614A1

  公开（公告）日：2013-11-20

  A palladium-copper catalyst of homogeneous selective oxidation of thiols is proposed, combining a functional binuclear thiolate-bridged coordination compound of palladium (II) and a modifying thiolate complex of copper (I), having the general formula         [Pd2II(µ-SR)2(NH3)4] · CuIk(SR)m}     (I), where SR is the residue of a thiolate ligand, chosen from the group including a residue of glutathione and acetylcysteine, k = 2 to 14, m ≥ 3k. Also proposed are a catalytic combination, a pharmacological combination, a pharmaceutical composition, and a method of therapeutic action on a patient's organism based on the indicated catalyst.

  提出了一种硫醇均相选择性氧化的钯铜催化剂，该催化剂结合了钯 (II) 的功能性双核硫醇桥式配位化合物和铜 (I) 的改性硫醇酸盐络合物，其通式为 [Pd2II(µ-SR)2(NH3)4] - CuIk(SR)m} (I)、 其中 SR 是硫醇配体的残基，选自包括谷胱甘肽和乙酰半胱氨酸残基在内的组、 k = 2 至 14、 m≥3k。 还提出了一种催化组合物、一种药理组合物、一种药物组合物以及一种基于所述催化剂对患者机体起治疗作用的方法。

表征谱图