Pseudothymidine - ≥99% , CAS No.65358-15-8

CAS: 65358-15-8 Cat. No.: P646424 Formule: C₁₀H₁₄N₂O₅ Poids moléculaire: 242.23 PubChem CID: 445537

GRADE & PURITY ≥99%

Synonyms

5-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1-methylpyrimidine-2,4(1H,3H)-dione | 2'-deoxy-1-methyl-pseudouridine | AKOS040744351 | HY-101969 | 5-METHYL-2'-DEOXYPSEUDOURIDINE | NSC804519 | NSC-804519 | 5MD | SCHEMBL5991319 | (1R)-1,4-an

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Pseudothymidine is a C-nucleoside analog of thymidine.

In Vitro

Pseudothymidine is a C-nucleoside analog of thymidine. The calculated ΔΔG° 50 /mod is -0.5 kcal/mol, with a Δ T m /mod of 0.82°C. For the duplexes containing nine dA-T/ψT pairs, the Δ T m /mod is -0.9°C and a ΔΔG° 50 /mod is +1.1 kcal/mol. The modification of the duplex containing 12 consecutive dA-T/ψT base pairs produces a Δ T m /mod of -0.9°C and a ΔΔG° 50 /mod of +1.2 kcal/mol. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonymes

5-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1-methylpyrimidine-2,4(1H,3H)-dione | 2'-deoxy-1-methyl-pseudouridine | AKOS040744351 | HY-101969 | 5-METHYL-2'-DEOXYPSEUDOURIDINE | NSC804519 | NSC-804519 | 5MD | SCHEMBL5991319 | (1R)-1,4-an

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

Pseudothymidine is a C-nucleoside analog of thymidine.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

• Sourires canoniques: CN1C=C(C(=O)NC1=O)C2CC(C(O2)CO)O
• IUPAC Name: 5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
• InChIKey: AMDJRICBYOAHBZ-XLPZGREQSA-N
• INCHI: 1S/C10H14N2O5/c1-12-3-5(9(15)11-10(12)16)7-2-6(14)8(4-13)17-7/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
• Isomères SMILES: CN1C=C(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
• CAS alternatif: 65358-15-8
• PubChem CID: 445537
• Poids moléculaire: 242.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe Nucleoside and nucleotide analogues

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Nucleoside and nucleotide analogues
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Nucleoside and nucleotide analogues
• Alternative Parents: C-glycosyl compounds Pyrimidones Hydropyrimidines Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Ureas Secondary alcohols Lactams Azacyclic compounds Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: C-glycosyl compound - Glycosyl compound - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Tetrahydrofuran - Vinylogous amide - Lactam - Secondary alcohol - Urea - Oxacycle - Ether - Dialkyl ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others.
• 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

Propriétés chimiques et physiques

• Solubilité: DMSO : ≥ 61.17 mg/mL (252.53 mM)
• Poids moléculaire: 242.230 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 242.09 Da
• Monoisotopic Mass: 242.09 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 381.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 65358-15-8, the molecular formula is C10H14N2O5, and the molecular weight is 242.23 g/mol. InChIKey AMDJRICBYOAHBZ-XLPZGREQSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.