5-Methyluridine - 10mM in DMSO , CAS No.1463-10-1

CAS: 1463-10-1 Cat. No.: M421691 Fórmula: C₁₀H₁₄N₂O₆ Peso molecular: 258.23 Beilstein Registry Number: 24(5)7,172 Número EC: 215-973-9

GRADE & PURITY 10mM in DMSO

Synonyms

1-b-D-Ribofuranosylthymine | THYMINE RIBOSIDE, (-)- | A808481 | CHEBI:45996 | beta-delta-Ribofuranoside thymine-1 | Hydrazinecarbothioamide, 2,2'-(1-(1-ethoxyethyl)-1,2-ethanediylidene)bis | thymine-1 beta-D-Ribofuranosylthymine | NSC-53172 | 2,4(1H,3H)-P

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

1-b-D-Ribofuranosylthymine | THYMINE RIBOSIDE, (-)- | A808481 | CHEBI:45996 | beta-delta-Ribofuranoside thymine-1 | Hydrazinecarbothioamide, 2,2'-(1-(1-ethoxyethyl)-1,2-ethanediylidene)bis | thymine-1 beta-D-Ribofuranosylthymine | NSC-53172 | 2,4(1H,3H)-P

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

Pubchem Sid

528761903

Sonrisas canónicas

CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O

IUPAC Name

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

InChIKey

DWRXFEITVBNRMK-JXOAFFINSA-N

INCHI

1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1

Isómeros SMILES

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

WGK Alemania

3

Peso molecular

258.23

Beilstein

24(5)7,172

Reaxy-Rn

24733125

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24733125&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: Pyrimidine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine nucleosides
• Alternative Parents: Glycosylamines Pentoses Pyrimidones Hydropyrimidines Tetrahydrofurans Heteroaromatic compounds Vinylogous amides Ureas Lactams Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine nucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Pyrimidone - Hydropyrimidine - Monosaccharide - Pyrimidine - Vinylogous amide - Tetrahydrofuran - Heteroaromatic compound - Urea - Secondary alcohol - Lactam - Organoheterocyclic compound - Oxacycle - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Alcohol - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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: methyluridine

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

Objetivos asociados (humanos)

WI-38 (2654 Activities)

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HeLa (62764 Activities)

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Objetivos asociados (no humanos)

Vero (26788 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Rotación específica [α]: -8 ° (C=2, H2O)
• Punto de fusión (°C): 183°C
• Peso molecular: 258.230 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 258.085 Da
• Monoisotopic Mass: 258.085 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 409.000
• 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