(E)-5-<2-(Methoxycarbonyl)ethenyl>cytidine | 81244-97-5

• 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: (E)-5-<2-(Methoxycarbonyl)ethenyl>cytidine
• 英文别名: methyl 3-(5-cytidinyl)propenoate；(E)-5-(2-methoxycarbonylethenyl)-cytidine；5-(2-carbmethoxyethenyl)cytidine；(E)-5-(2-methoxycarbonyl ethenyl) cytidine；methyl (E)-3-[4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate
• CAS: 81244-97-5
• 化学式: C₁₃H₁₇N₃O₇
• 分子量: 327.294
• InChiKey: MKUVCRFOGMGMMO-XTYSKQHXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  155
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (E)-5-<2-(Methoxycarbonyl)ethenyl>cytidine 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 10.0h， 以79%的产率得到5-<2-(methoxycarbonyl)ethyl>cytidine
  参考文献：
  名称：

  Hassan, M., Bulletin des Societes Chimiques Belges, 1991, vol. 100, # 8, p. 627 - 630

  摘要：

  DOI：
• 作为产物：
  描述：

  丙烯酸甲酯（MA） 、 5-碘胞苷 生成 (E)-5-<2-(Methoxycarbonyl)ethenyl>cytidine
  参考文献：
  名称：

  Hassan, M., Bulletin des Societes Chimiques Belges, 1991, vol. 100, # 8, p. 627 - 630

  摘要：

  DOI：

文献信息

• Pyridopyrimidine nucleotide compounds
  申请人：Teijin Limited

  公开号：US04965350A1

  公开（公告）日：1990-10-23

  Pyridopyrimidine nucleotide derivatives expressed by formula (I), which are fluorescent and capable of forming base pairing with guanine or adenine, and oligo- or polynucleotide which have at least one of these derivatives in their molecules or at their molecular terminals: ##STR1## wherein X.sub.1 and X.sub.1 respectively represent ##STR2## (in which n indicates an integer of 0, 1, 2, or 3; however, in no case X.sub.1 and Y.sub.1 both indicate n=O); Z.sub.1 indicates a hydrogen atom or ##STR3## (in which n indicates an integer of 1, 2, or 3); W.sub.1 indicates a hydrogen atom or a hydroxyl group. As for R.sub.1 and R.sub.2, in case where R.sub.1 is an amino group or halogen, R.sub.2 indicates a single bond between the carbon atom at the 7-position and the nitrogen atom at the 8-position, and in case where R.sub.2 is a hydrogen atom or an lower alkyl group, R.sub.1 indicates a carbonyl bond ##STR4## formed with the carbon atom at the 7-position.

  公式（I）所表示的吡啶并嘧啶核苷酸衍生物，具有荧光性质，能够与鸟嘌呤或腺嘌呤形成碱基配对，以及至少在其分子中或分子末端具有这些衍生物的寡核苷酸或多核苷酸：##STR1## 其中X.sub.1和X.sub.1分别表示##STR2##（其中n表示0、1、2或3的整数；但在任何情况下，X.sub.1和Y.sub.1都不表示n=0）；Z.sub.1表示氢原子或##STR3##（其中n表示1、2或3的整数）；W.sub.1表示氢原子或羟基。至于R.sub.1和R.sub.2，在R.sub.1为氨基或卤素的情况下，R.sub.2表示位于7位碳原子和8位氮原子之间的单键；在R.sub.2为氢原子或较低的烷基基团的情况下，R.sub.1表示与7位碳原子形成的羰基键##STR4##。
• Dyed microspheres for characterization of photochemical reactor behavior
  申请人：Blatchley R. Ernest

  公开号：US20060017008A1

  公开（公告）日：2006-01-26

  A method for photochemical reactor characterization includes an application of using dyed microspheres exposed to UV irradiation under a collimated-beam system. Particle specific fluorescence intensity measurements are conducted using samples form the collimated beam and flow-through reactor results using flow cytometry. A numerical model may be used to simulate the behavior of the reactor system to provide a particle-tracking algorithm to interrogate the flow and intensity field simulations for purposes of developing a particle specific estimate of the dose delivery. A method for measuring UV dose distribution delivery in photochemical reactors is provided that includes introducing microspheres labeled with a photochemically-active compound in a UV reactor, The labeled microspheres are harvested downstream of the irradiated zone of a UV reactor and exposed to UV irradiation under a collimated beam of UV irradiation. The method further includes quantifying a UV dose-response behavior, conducting fluorescence intensity measurement on the labeled microspheres from the UV reactor, and developing an estimate of a dose distribution delivered by a UV reactor based on the numerical deconvolution of the sum of the UV dose response behavior and fluorescent intensity of exposed microspheres.

  光化学反应器表征方法包括使用染色微球在准直光束系统下接受紫外线照射。利用准直光束和流式细胞仪测量流过反应器的样品的特定粒子荧光强度。可使用数值模型模拟反应器系统的行为，以提供粒子跟踪算法，对流场和强度场模拟进行询问，从而估算出粒子的具体剂量分布。提供了一种测量光化学反应器中紫外剂量分布传递的方法，该方法包括在紫外反应器中引入标记有光化学活性化合物的微球，在紫外反应器辐照区的下游收获标记的微球，并在紫外辐照的准直光束下进行紫外辐照。该方法还包括量化紫外剂量响应行为，对来自紫外反应器的标记微球进行荧光强度测量，并根据紫外剂量响应行为与暴露微球荧光强度之和的数值解卷积，对紫外反应器提供的剂量分布进行估计。
• Pyrido[2,3-d]pyrimidine nucleosides. Synthesis via cyclization of C-5-substituted cytidines
  作者：Donald E. Bergstrom、Hideo Inoue、P. Anantha Reddy

  DOI：10.1021/jo00132a038

  日期：1982.5
• HASSAN, M. E., BULL. SOC. CHIM. BELG., 100,(1991) N, C. 627-630
  作者：HASSAN, M. E.

  DOI：——

  日期：——
• PYRIDOPYRIMIDINE NUCLEOTIDE DERIVATIVES
  申请人：TEIJIN LIMITED

  公开号：EP0235301B1

  公开（公告）日：1992-07-22