5-Methoxycarbonyl Methyl Uridine - ≥98% , CAS No.29428-50-0

CAS: 29428-50-0 Cat. No.: M339545 Molecular Weight: 316.26

GRADE & PURITY ≥98%

Synonyms

5-Pyrimidineacetic acid, 1,2,3,4-tetrahydro-2,4-dioxo-1-beta-D-ribofuranosyl-, methyl ester | 5-(2-methoxy-2-oxoethyl)uridine | Methyl2-(1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)aceta

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

Methyl 1,2,3,4-tetrahydro-2,4-dioxo-1-β-D-ribofuranosyl-5-pyrimidineacetate is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc.

Specifications

Synonyms

5-Pyrimidineacetic acid, 1, 2, 3, 4-tetrahydro-2, 4-dioxo-1-beta-D-ribofuranosyl-, methyl ester | 5-(2-methoxy-2-oxoethyl)uridine | Methyl2-(1-((2R, 3R, 4S, 5R)-3, 4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2, 4-dioxo-1, 2, 3, 4-tetrahydropyrimidin-5-yl)aceta

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504762391
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762391
• Canonical Smiles: COC(=O)CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
• IUPAC Name: methyl 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetate
• InChIKey: YIZYCHKPHCPKHZ-PNHWDRBUSA-N
• INCHI: 1S/C12H16N2O8/c1-21-7(16)2-5-3-14(12(20)13-10(5)19)11-9(18)8(17)6(4-15)22-11/h3,6,8-9,11,15,17-18H,2,4H2,1H3,(H,13,19,20)/t6-,8-,9-,11-/m1/s1
• Isomeric SMILES: COC(=O)CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
• Molecular Weight: 316.26
• Reaxy-Rn: 55820646
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=55820646&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Pyrimidine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Pyrimidine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine nucleosides
• Alternative Parents: Glycosylamines Pentoses Pyrimidones Hydropyrimidines Tetrahydrofurans Methyl esters Heteroaromatic compounds Vinylogous amides Ureas Lactams Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine nucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Pyrimidone - Hydropyrimidine - Monosaccharide - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Tetrahydrofuran - Carboxylic acid ester - Lactam - Secondary alcohol - Urea - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidine nucleosides. These are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety.
• External Descriptors: methyl ester - uridines

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

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Melt Point(°C): 160-162°C
• Molecular Weight: 316.260 g/mol
• XLogP3: -2.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 316.091 Da
• Monoisotopic Mass: 316.091 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 519.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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