Cytidine, 2'-deoxy-5-fluoro- | 10356-76-0

• 物质功能分类: 医药中间体 - 原料药中间体
• 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: Cytidine, 2'-deoxy-5-fluoro-
• 英文别名: 4-amino-5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
• CAS: 10356-76-0
• 化学式: C₉H₁₂FN₃O₄
• 分子量: 245.21
• InChiKey: IDYKCXHJJGMAEV-UHFFFAOYSA-N

物化性质

• 熔点：
  196 °C
• 沸点：
  465℃
• 密度：
  1.82
• 闪点：
  235℃
• 溶解度：
  二甲基亚砜：>20mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R22
• WGK Germany：
  3
• RTECS号：
  HA3850000
• 海关编码：
  2934999090
• 危险标志：
  GHS07
• 危险性描述：
  H302
• 危险性防范说明：
  P261,P280,P305+P351+P338

制备方法与用途

生物活性方面，2'-Deoxy-5-fluorocytidine（5-氟-2'-脱氧胞苷，FCdR）是一种嘧啶类似物，目前被用于实体瘤的临床试验中，作为DNA甲基转移酶（DMNT）抑制剂。

其主要作用靶点如下：

Target	Value
DNA 甲基化

反应信息

• 作为产物：
  描述：

  以98的产率得到Cytidine, 2'-deoxy-5-fluoro-
  参考文献：
  名称：

  Synthesis of 4-alkoxy-5-fluoro-2'-deoxyuridine and its incorporation

  摘要：

  揭示了5-氟-2'-脱氧胞苷的合成，含有5-氟-2'-脱氧胞苷的寡核苷酸以及某些新型的4-烷氧基-5-氟-2'-脱氧尿嘧啶。这些4-烷氧基化合物是制备其他4-取代的5-氟嘧啶脱氧核苷的有用中间体，并在靶细胞中自发水解形成FdU及其衍生物。

  公开号：

  US05663323A1

文献信息

• BIOCATALYTIC PRODUCTION OF NUCLEOSIDE ANALOGUES AS ACTIVE PHARMACEUTICAL INGREDIENTS
  申请人：PLASMIA BIOTECH, S.L.

  公开号：US20160076070A1

  公开（公告）日：2016-03-17

  A biocatalytic process for producing active pharmaceutical ingredients (APIs) or intermediates thereof, wherein those APIs or their intermediates are nucleoside analogues (NAs) of formula I and wherein said NAs are active as pharmaceutically relevant antivirals and anticancer medicaments, intermediates or prodrugs thereof.

  一种生物催化过程，用于生产活性药用成分（API）或其中间体，其中这些API或其中间体是式I的核苷类似物（NAs），并且所述的NAs作为药用抗病毒和抗癌药物具有活性，以及其中间体或前药。
• Biocatalytic production of nucleoside analogues as active pharmaceutical ingredients
  申请人：PLASMIA BIOTECH, S.L.

  公开号：US10184142B2

  公开（公告）日：2019-01-22

  A biocatalytic process for producing active pharmaceutical ingredients (APIs) or intermediates thereof, wherein those APIs or their intermediates are nucleoside analogues (NAs) of formula I and wherein said NAs are active as pharmaceutically relevant antivirals and anticancer medicaments, intermediates or prodrugs thereof.

  一种生产活性药物成分 (API) 或其中间体的生物催化工艺，其中这些 API 或其中间体是式 I 的核苷类似物 (NA) 其中所述核苷类似物可作为药学上相关的抗病毒药物和抗癌药物、其中间体或原药。
• MOBILISATION OF TRANSPOSABLE ELEMENTS TO ENHANCE GENETIC AND EPIGENETIC VARIABILITY IN A POPULATION
  申请人：UNIVERSITAT BASEL

  公开号：US20180352764A1

  公开（公告）日：2018-12-13

  A method for the mobilization of a transposable element is provided. The method comprises the steps of a) providing an inhibitor of DNA methylation, and/or an inhibitor of transcription, and b) contacting the inhibitor(s) with a cell comprising inactivated transposable elements, yielding a cell with mobilized transposable elements. In a second aspect of the invention a method for increasing the genetic and/or epigenetic variation in a plurality of eukaryotic organisms is provided. The method comprises the steps of i. providing an inhibitor of DNA methylation and/or an inhibitor of transcription, ii. contacting the organism with the inhibitor(s) and iii. propagating the organism.
• [EN] BIOCATALYTIC PRODUCTION OF NUCLEOSIDE ANALOGUES AS ACTIVE PHARMACEUTICAL INGREDIENTS<br/>[FR] PRODUCTION BIOCATALYTIQUE D'ANALOGUES NUCLÉOSIDIQUES EN TANT QUE PRINCIPES ACTIFS PHARMACEUTIQUES
  申请人：PLASMIA BIOTECH S L

  公开号：WO2014177585A2

  公开（公告）日：2014-11-06

  A biocatalytic process for producing active pharmaceutical ingredients (APIs) or intermediates thereof, wherein those APIs or their intermediates are nucleoside analogues (NAs) of formula (I), and wherein said NAs are active as pharmaceutically relevant antivirals and anticancer medicaments, intermediates or prodrugs thereof.
• [EN] USE OF A DHODH INHIBITOR COMPOUND IN COMBINATION CANCER THERAPY<br/>[FR] UTILISATION D'UN COMPOSÉ INHIBITEUR DE DHODH EN POLYTHÉRAPIE ANTICANCÉREUSE
  申请人：SERVIER PHARMACEUTICALS LLC

  公开号：WO2021262881A1

  公开（公告）日：2021-12-30

  Provided herein are method of treating cancers using a first anti-cancer agent and at least one second anti-cancer agent, wherein the first anti-cancer agent is represented by Formula (I): or a pharmaceutically acceptable salt thereof. Compositions comprising the disclosed first anti-cancer agent and at least one second anti-cancer agent are also provided.

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