2'-脱氧胸苷-5'-三磷酸三钠二水 | 964-26-1

• 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: 2'-脱氧胸苷-5'-三磷酸三钠二水
• 英文名称: 2'-deoxyuridine-5'-monophosphate
• 英文别名: dUMP；deoxyuridine monophosphate；2'-Deoxyuridine 5'-phosphate；2'-Deoxyuridine 5'-monophosphate；[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
• CAS: 964-26-1
• 化学式: C₉H₁₃N₂O₈P
• 分子量: 308.185
• InChiKey: JSRLJPSBLDHEIO-SHYZEUOFSA-N

物化性质

• 密度：
  1.742±0.06 g/cm3(Predicted)
• 物理描述：
  Solid
• 碰撞截面：
  167.5 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

计算性质

• 辛醇/水分配系数(LogP)：
  -3.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  146
• 氢给体数：
  4
• 氢受体数：
  8

安全信息

• 危险品标志：
  Xn,Xi
• 危险类别码：
  R22
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  2'-脱氧胸苷-5'-三磷酸三钠二水 在 sodium chloride Tris buffer 、 1,4-二巯基-2,3-丁二醇 作用下， 生成 胸苷酸
  参考文献：
  名称：

  A lag-phase in the reduction of flavin dependent thymidylate synthase (FDTS) revealed a mechanistic missing link

  摘要：

  在单周转还原FDTS结合的黄素过程中，发现了一个意外的底物依赖性滞涨阶段，这为这种替代胸苷酸合酶的分子机制提供了启示。

  DOI：

  10.1039/b517881a
• 作为产物：
  描述：

  2-脱氧尿苷 在 recombinant thymidine kinase AtTK₁a from Arabidopsis thaliana (ecotype Columbia) 、 5’-三磷酸腺苷 作用下， 以 aq. buffer 为溶剂， 生成 2'-脱氧胸苷-5'-三磷酸三钠二水
  参考文献：
  名称：

  Two thymidine kinases and one multisubstrate deoxyribonucleoside kinase salvage DNA precursors inArabidopsis thaliana

  摘要：

  Deoxyribonucleotides are the building blocks of DNA and can be synthesized via de novo and salvage pathways. Deoxyribonucleoside kinases (EC 2.7.1.145) salvage deoxyribonucleosides by transfer of a phosphate group to the 5′ of a deoxyribonucleoside. This salvage pathway is well characterized in mammals, but in contrast, little is known about how plants salvage deoxyribonucleosides. We show that during salvage, deoxyribonucleosides can be phosphorylated by extracts of Arabidopsis thaliana into corresponding monophosphate compounds with an unexpected preference for purines over pyrimidines. Deoxyribonucleoside kinase activities were present in all tissues during all growth stages. In the A. thaliana genome, we identified two types of genes that could encode enzymes which are involved in the salvage of deoxyribonucleosides. Thymidine kinase activity was encoded by two thymidine kinase 1 (EC 2.7.1.21)‐like genes (AtTK1a and AtTK1b). Deoxyadenosine, deoxyguanosine and deoxycytidine kinase activities were encoded by a single AtdNK gene. T‐DNA insertion lines of AtTK1a and AtTK1b mutant genes had normal growth, although AtTK1a AtTK1b double mutants died at an early stage, which indicates that AtTK1a and AtTK1b catalyze redundant reactions. The results obtained in the present study suggest a crucial role for the salvage of thymidine during early plant development.DatabaseSequence data from the present study have been deposited in the EMBL database/GenBank under accession numbers: AT3G07800.1 (AtTK1a), At5G23070.1 (AtTK1b) and AT1G72040.1 (AtdNK).

  DOI：

  10.1111/j.1742-4658.2012.08747.x

文献信息

• ANTI-TUMOR EFFECT POTENTIATOR
  申请人：Fukuoka Masayoshi

  公开号：US20120225838A1

  公开（公告）日：2012-09-06

  There is provided an agent for potentiating the effects of an anti-tumor agent. An anti-tumor effect potentiator containing, as an active ingredient, a uracil compound represented by the following formula (I) or a pharmaceutically acceptable salt thereof: wherein X represents a C 1-5 alkylene group and one of methylene groups constituting the alkylene group is optionally substituted with an oxygen atom; R 1 represents a hydrogen atom or a C 1-6 alkyl group; R 2 represents a hydrogen atom or a halogen atom; and R 3 represents a C 1-6 alkyl group, a C 2-6 alkenyl group, a C 3-6 cycloalkyl group, a (C 3-6 cycloalkyl) C 1-6 alkyl group, a halogeno-C 1-6 alkyl group or a saturated heterocyclic group.

  提供了一种用于增强抗肿瘤药物效果的药剂。 一种抗肿瘤效应增强剂，其包含以下式(I)所代表的尿嘧啶化合物或其药用可接受的盐作为活性成分： 其中X代表一个C1-5烷基基团，构成该烷基基团的亚甲基基团之一可以选择性地被氧原子取代； R1代表氢原子或一个C1-6烷基基团；R2代表氢原子或卤原子；R3代表一个C1-6烷基基团，一个C2-6烯基基团，一个C3-6环烷基基团，一个(C3-6环烷基)C1-6烷基基团，一个卤代C1-6烷基基团或一个饱和杂环基团。
• [EN] DUTPASE INHIBITORS<br/>[FR] INHIBITEURS DE DUTPASE
  申请人：MEDIVIR AB

  公开号：WO2005065689A1

  公开（公告）日：2005-07-21

  Deoxyuridine derivatives of the formula (I) where R1 is H or various substituents; D is -NHCO-, -CONH-, -0-, -C(=O)-, -CH=CH, -CΞC-, -NR5-; R4 is hydrogen or various substituents; R5 is H, C1-C4 alkyl, C1-C4 alkanoyl; E is Si or C; R6, R7 and R8 are independently selected from C1-C8 alkyl, C2-C8 alkenyl, C2-C8 alkynyl or a stable monocyclic, bicyclic or tricyclic ring system; G is -O-, -S-, -CHR10-, -C(=O)-; J is -CH2-, or when G is CHR10 may also be -O- or -NH-; R10 is H, F, -CH3, -CH2NH2, -CH2OH; -OH R11 is H, F, -CH3, -CH2 NH2, -CH2OH, CH(OH)CH3, CH(NH3)CH3; or R10 and R11 together define an olefinic bond, or together form a -CH2-group, thereby defining a cis or trans cyclopropyl group; have utility in the prophylaxis or treatment of protozoal diseases such as malaria.

  脱氧尿嘧啶衍生物的公式(I)，其中R1是H或不同的取代基；D是-NHCO-，-CONH-，-0-，-C(=O)-，-CH=CH，-CΞC-，-NR5-；R4是氢或不同的取代基；R5是H，C1-C4烷基，C1-C4烷酰基；E是Si或C；R6、R7和R8独立地选自C1-C8烷基，C2-C8烯基，C2-C8炔基或稳定的单环、双环或三环环系；G是-O-，-S-，-CHR10-，-C(=O)-；J是-CH2-，或者当G是CHR10时，也可以是-O-或-NH-；R10是H，F，-CH3，- NH2，- OH；-OH R11是H，F，- ，- NH2，- OH，CH(OH) ，CH(NH3) ；或者R10和R11共同定义一个烯丙基键，或者共同形成一个- -基团，从而定义一个顺式或反式环丙基基团；在预防或治疗疟疾等原虫性疾病方面具有用途。
• Compositions and methods for inhibiting expression of Nav1.8 gene
  申请人：Sah Dinah

  公开号：US20070105806A1

  公开（公告）日：2007-05-10

  The invention relates to a double-stranded ribonucleic acid (dsRNA) for inhibiting the expression of the Nav1.8 gene (Nav1.8 gene), comprising an antisense strand having a nucleotide sequence which is less that 25 nucleotides in length and which is substantially complementary to at least a part of the Nav1.8 gene. The invention also relates to a pharmaceutical composition comprising the dsRNA together with a pharmaceutically acceptable carrier; methods for treating diseases caused by the expression of the Nav1.8 gene using the pharmaceutical composition; and methods for inhibiting the expression of the Nav1.8 gene gene in a cell.

  该发明涉及一种双链核糖核酸(dsRNA)，用于抑制Nav1.8基因(Nav1.8基因)的表达，包括具有核苷酸序列的反义链，其长度小于25个核苷酸，并且与Nav1.8基因的至少一部分基本互补。该发明还涉及包括dsRNA和药用可接受载体的药物组合物；使用该药物组合物治疗由Nav1.8基因表达引起的疾病的方法；以及在细胞中抑制Nav1.8基因表达的方法。
• Inhibitors of Dihydrofolate Reductase With Antibacterial Antiprotozoal, Antifungal and Anticancer Properties
  申请人：Anderson Amy C.

  公开号：US20090105287A1

  公开（公告）日：2009-04-23

  The compositions and methods described herein discloses the design, synthesis and testing of compounds that act as inhibitors of DHFR. The basic scaffold of these inhibitors includes a 2,4-diaminopyrimidine ring with a propargyl linker to another substituted aryl, bicyclo or heteroaryl ring. These DHFR inhibitors are potent and selective for many different pathogenic organisms, including the DHFR enzyme from bacteria such as Bacillus anthracis and methicillin-resistant Staphylococcus aureus , fungi such as Candida glabrata, Candida albicans and Cryptococcus neoformans and protozoa such as Cryptosporidium hominis and Toxoplasma gondii . These compounds and other similar compounds are also potent against the mammalian enzyme and may be useful as anti-cancer therapeutics.

  本文描述的组合物和方法揭示了设计、合成和测试作为DHFR抑制剂的化合物。这些抑制剂的基本骨架包括一个2,4-二氨基嘧啶环，带有一个丙炔基连接到另一个取代芳基、双环或杂环芳基环。这些DHFR抑制剂对许多不同的病原体具有强大的选择性作用，包括来自细菌如炭疽芽胞杆菌和耐甲氧西林金黄色葡萄球菌、真菌如白色假丝酵母、白念珠菌和新生隐球菌，以及原虫如人类隐孢子虫和弓形虫的DHFR酶。这些化合物和其他类似化合物也对哺乳动物酶具有强大的作用，可能有助于作为抗癌治疗药物。
• Compositions and methods for inhibiting expression of huntingtin gene
  申请人：Sah Wen-Yee Dinah

  公开号：US20070099860A1

  公开（公告）日：2007-05-03

  The invention relates to a double-stranded ribonucleic acid (dsRNA) for inhibiting the expression of the Huntingtin gene (HD gene), comprising an antisense strand having a nucleotide sequence which is less than 25 nucleotides in length and which is substantially complementary to at least a part of the HD gene. The invention also relates to a pharmaceutical composition comprising the dsRNA together with a pharmaceutically acceptable carrier; methods for treating diseases caused by the expression of the HD gene, or a mutant form thereof, using the pharmaceutical composition; and methods for inhibiting the expression of the huntingtin gene in a cell.

  该发明涉及一种双链核糖核酸(dsRNA)，用于抑制Huntingtin基因(HD基因)的表达，包括具有核苷酸序列的反义链，其长度小于25个核苷酸，并且与HD基因的至少一部分基本互补。该发明还涉及包括dsRNA和药用载体的药物组合物；使用该药物组合物治疗由HD基因的表达或其突变形式引起的疾病的方法；以及在细胞中抑制huntingtin基因表达的方法。