3-Methylcytidine - ≥99% , CAS No.2140-64-9

CAS: 2140-64-9 Cat. No.: M648763 Fórmula: C₁₀H₁₅N₃O₅ Peso molecular: 257.24 PubChem CID: 14237477

GRADE & PURITY ≥99%

Synonyms

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-3-methylpyrimidin-2-one | HY-111645 | 1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-imino-3-methyl-3,4-dihydropyrimidin-2(1H)-one | PD102291 | SCHEMBL40872 | 3-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

3-Methylcytidine, a urinary nucleoside, can be used as a biomarker of four different types of cancer: lung cancer , gastric cancer , colon cancer , and breast cancer.

Form:Solid

Specifications

Sinónimos

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-3-methylpyrimidin-2-one | HY-111645 | 1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-imino-3-methyl-3,4-dihydropyrimidin-2(1H)-one | PD102291 | SCHEMBL40872 | 3-

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

3-Methylcytidine, a urinary nucleoside, can be used as a biomarker of four different types of cancer: lung cancer , gastric cancer , colon cancer , and breast cancer.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%

Nomes e identificadores

Sorrisos canónicos

CN1C(=N)C=CN(C1=O)C2C(C(C(O2)CO)O)O

IUPAC Name

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-3-methylpyrimidin-2-one

InChIKey

RDPUKVRQKWBSPK-ZOQUXTDFSA-N

INCHI

1S/C10H15N3O5/c1-12-6(11)2-3-13(10(12)17)9-8(16)7(15)5(4-14)18-9/h2-3,5,7-9,11,14-16H,4H2,1H3/t5-,7-,8-,9-/m1/s1

SMILES isoméricas

CN1C(=N)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

PubChem CID

14237477

Peso molecular

257.24

Taxonomic Classification

Taxonomy Tree

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

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

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: H2O : 90 mg/mL (349.87 mM; Need ultrasonic) DMSO : 83.33 mg/mL (323.94 mM; Need ultrasonic)
• Peso molecular: 257.240 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 257.101 Da
• Monoisotopic Mass: 257.101 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 399.000
• 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

Perguntas frequentes

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 2140-64-9, the molecular formula is C10H15N3O5, and the molecular weight is 257.24 g/mol. InChIKey RDPUKVRQKWBSPK-ZOQUXTDFSA-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.