Thymine - Moligand™, for cell culture, ≥99% , CAS No.65-71-4

CAS: 65-71-4 Cat. No.: T108392 Formule: C₅H₆N₂O₂ Poids moléculaire: 126.12 Beilstein Registry Number: 117880 Numéro CE: 200-616-1 PubChem CID: 1135

GRADE & PURITY Moligand™, for Cell culture, ≥99%

Synonyms

2,3H)-Pyrimidinedione, 5-methyl- | THYMINE [INCI] | AKOS000120923 | STL280241 | 5-Methyl-2,4-dioxypyrimidine | Thymine-methyl-d3-6-d | 4(1H)-Pyrimidinone, 2-hydroxy-5-methyl- (9CI) | SY014896 | Thymine,(S) | QR26YLT7LT | SCHEMBL15496760 | Thymine, Vetec(T

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Vue d’ensemble

Thymine, one of the four bases of DNA, is a substrate for rat liver dihydropyrimidine dehydrogenase (DPD), with a Km value of 2.2 μM, Ki of 24 μM (using 5-FU as the DPD substrate), and a specific activity of 0.68 nmol/min/mg.

Specifications

Synonymes

2,3H)-Pyrimidinedione, 5-methyl- | THYMINE [INCI] | AKOS000120923 | STL280241 | 5-Methyl-2,4-dioxypyrimidine | Thymine-methyl-d3-6-d | 4(1H)-Pyrimidinone, 2-hydroxy-5-methyl- (9CI) | SY014896 | Thymine,(S) | QR26YLT7LT | SCHEMBL15496760 | Thymine, Vetec(T

Spécifications et pureté

Moligand™, for cell culture, ≥99%

Conditions de stockage de stockage

Protected from light,Room temperature,Desiccated

Expédié en

Normal

Grade

for Cell culture, Moligand™

Pureté

≥99%

Noms et identifiants

Pubchem Sid

504750468

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750468

Sourires canoniques

CC1=CNC(=O)NC1=O

IUPAC Name

5-methyl-1H-pyrimidine-2,4-dione

InChIKey

RWQNBRDOKXIBIV-UHFFFAOYSA-N

INCHI

1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)

Isomères SMILES

CC1=CNC(=O)NC1=O

WGK Allemagne

2

RTECS

XP2100000

PubChem CID

1135

Poids moléculaire

126.12

Beilstein

117880

Reaxy-Rn

607626

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxypyrimidines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxypyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: a pyrimidine-related compound - a pyrimidine base

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

Cibles associées (humaines)

CCRF-CEM (65223 Activities)

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KB (17409 Activities)

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Cibles associées (non humaines)

deoA Thymidine phosphorylase (531 Activities)

Discover Target: deoA

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Influenza A virus (11224 Activities)

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B16 (5829 Activities)

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MDCK (10148 Activities)

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P388 (20296 Activities)

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Vero (26788 Activities)

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W256 (236 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive.
• Point de fusion (°C): 316-317°C
• Poids moléculaire: 126.110 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.043 Da
• Monoisotopic Mass: 126.043 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 195.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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