5′-Deoxythymidine - ≥98% , CAS No.3458-14-8

CAS: 3458-14-8 Cat. No.: D349614 分子式: C₁₀H₁₄N₂O₄ 分子量: 226.23

グレード＆純度 ≥98%

Synonyms

Thymidine, 5'-deoxy-|5/'-deoxy Thymidine|2',5'-Dideoxythymidine|5'-Deoxythymidine|1-((2R,4S,5R)-4-hydroxy-5-methyltetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione|5'-Ddthd|5-deoxy Thymidine|1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

5'-Deoxythymidine is a research tool for antiviral and anticancer studies. 5'-Deoxythymidine has been employed in studying the entry mechanism into human erythrocytes in comparison with other deoxythymidines. Deoxythymidine is the DNA nucleoside T, which pairs with deoxyadenosine (A) in double-stranded DNA. In cell biology it is employed to synchronize the cells in S phase. As part of one of the 4 nucleotides in DNA, it is a naturally occurring compound that exists in all living organisms and DNA viruses. RNA has uridine (uracil joined to ribose) instead. Uracil is chemically very similar to thymine, the latter being 5-methyluracil. Since thymine nucleotides are precursors of DNA, and not RNA, the prefix "deoxy" is often left out, i.e., deoxythymidine is often just called thymidine.

仕様

同義語

Thymidine, 5'-deoxy- | 5/'-deoxy Thymidine | 2',5'-Dideoxythymidine | 5'-Deoxythymidine | 1-((2R,4S,5R)-4-hydroxy-5-methyltetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione | 5'-Ddthd | 5-deoxy Thymidine | 1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

製品の性質

pKa

pKa: 9.55 (Predicted)

名前と識別子

パブケム・シド

504753961

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504753961

カノニカル・スマイル

CC1C(CC(O1)N2C=C(C(=O)NC2=O)C)O

IUPAC Name

1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

InChIKey

UGUILUGCFSCUKR-GJMOJQLCSA-N

INCHI

1S/C10H14N2O4/c1-5-4-12(10(15)11-9(5)14)8-3-7(13)6(2)16-8/h4,6-8,13H,3H2,1-2H3,(H,11,14,15)/t6-,7+,8-/m1/s1

異性体SMILES

C[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O

WGKドイツ

3

分子量

226.23

Reaxy-Rn

25337436

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25337436&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • 分類 2',5'-dideoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 分類: 2',5'-dideoxyribonucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: 2',5'-dideoxyribonucleosides
• Alternative Parents: Pyrimidones Hydropyrimidines Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Ureas Secondary alcohols Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2',5'-dideoxyribonucleoside - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Lactam - Secondary alcohol - Urea - Oxacycle - Azacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 2',5'-dideoxyribonucleosides. These are nucleosides characterized by a purine or pyrimidine base, which is N-linked to a 2',5'-dideoxyribose moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water.
• 屈折率: n20D1.56 (Predicted)
• 比旋光度［α］: α28/D 8.9°, c = 0.6 in water
• 沸点（°C）: 486.56° C (Predicted)
• 融点（°C）: 192-193° C (lit.)
• 分子量: 226.230 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 226.095 Da
• Monoisotopic Mass: 226.095 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 366.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1