チミン - Moligand™、細胞培養用、99%以上 , CAS No.65-71-4

CAS: 65-71-4 Cat. No.: T108392 分子式: C₅H₆N₂O₂ 分子量: 126.12 Beilstein Registry Number: 117880 EC番号: 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

光から保護

Shipped In

ノーマル

概要

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

同義語

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

仕様と純度

Moligand™、細胞培養用、99%以上

保管条件

光から保護

入荷

ノーマル

等級

Moligand™, 細胞培養用

純度

≥99%

名前と識別子

パブケム・シド

504750468

パブケム・シド・ウル

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

カノニカル・スマイル

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)

異性体SMILES

CC1=CNC(=O)NC1=O

WGKドイツ

2

RTECS

XP2100000

PubChem CID

1135

分子量

126.12

Beilstein

117880

Reaxy-Rn

607626

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

CCRF-CEM (65223 Activities)

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KB (17409 Activities)

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関連ターゲット（非人間）

deoA Thymidine phosphorylase (531 Activities)

Discover Target: deoA

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Influenza B virus (2113 Activities)

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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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作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive.
• 融点（°C）: 316-317°C
• 分子量: 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