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1-Methyl-6-fluorothymine is a synthetic nucleoside analog derived from thymine, one of the four nucleobases in DNA. It features a fluorine atom at the 6 position of the thymine ring and a methyl group at the 1 position. These chemical modifications endow 1-methyl-6-fluorothymine with unique properties, positioning it as a potential candidate for the development of antiviral and anticancer drugs. Its distinctive structure and characteristics make it a promising subject for further research and development in medicinal chemistry.

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  • 112706-72-6 Structure
  • Basic information

    1. Product Name: 1-METHYL-6-FLUOROTHYMINE
    2. Synonyms: 6-FLUORO-1,5-DIMETHYL-2,4(1H,3H)-PYRIMIDINEDIONE;1-METHYL-6-FLUOROTHYMINE
    3. CAS NO:112706-72-6
    4. Molecular Formula: C6H7FN2O2
    5. Molecular Weight: 158.13
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 112706-72-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.35 g/cm3
    6. Refractive Index: 1.515
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 8.31±0.40(Predicted)
    10. CAS DataBase Reference: 1-METHYL-6-FLUOROTHYMINE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-METHYL-6-FLUOROTHYMINE(112706-72-6)
    12. EPA Substance Registry System: 1-METHYL-6-FLUOROTHYMINE(112706-72-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 112706-72-6(Hazardous Substances Data)

112706-72-6 Usage

Uses

Used in Pharmaceutical Industry:
1-Methyl-6-fluorothymine is used as a building block for nucleoside analogs for its potential to improve the efficacy and reduce the toxicity of existing treatments. Its unique chemical structure allows for the development of antiviral and anticancer drugs that could offer enhanced therapeutic benefits.
Used in Antiviral Drug Development:
1-Methyl-6-fluorothymine is utilized as a key component in the creation of antiviral agents, leveraging its modified structure to target and inhibit viral replication processes, thereby contributing to the treatment and prevention of viral infections.
Used in Anticancer Drug Development:
In the realm of oncology, 1-Methyl-6-fluorothymine is employed as a constituent of anticancer medications, taking advantage of its chemical properties to interfere with cancer cell replication and potentially leading to the suppression of tumor growth.
Used in Medicinal Chemistry Research:
1-Methyl-6-fluorothymine serves as a subject of interest in medicinal chemistry research, where its properties are explored for potential applications in the design of novel therapeutic agents, focusing on enhancing their effectiveness and safety profiles.

Check Digit Verification of cas no

The CAS Registry Mumber 112706-72-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,7,0 and 6 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 112706-72:
(8*1)+(7*1)+(6*2)+(5*7)+(4*0)+(3*6)+(2*7)+(1*2)=96
96 % 10 = 6
So 112706-72-6 is a valid CAS Registry Number.
InChI:InChI=1/C6H7FN2O2/c1-3-4(7)9(2)6(11)8-5(3)10/h1-2H3,(H,8,10,11)

112706-72-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-fluoro-1,5-dimethylpyrimidine-2,4-dione

1.2 Other means of identification

Product number -
Other names 6-FLUORO-1,5-DIMETHYL-2,4(1H,3H)-PYRIMIDINEDIONE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:112706-72-6 SDS

112706-72-6Downstream Products

112706-72-6Relevant articles and documents

Studies of vibrational spectra of 6-fluorothymine and its methyl derivatives

Stepanian, S. G.,Smorygo, N. A.,Sheina, G. G.,Radchenko, E. D.,Yakovleva, V. D.,et al.

, p. 355 - 361 (1990)

The solid and the argon-matrix isolated samples of 6-fluorothymine, 1-methyl-6-fluorothymine, 1,3-dimethyl-6-fluorothymine and 3-methylfluorothymine are studied at low temperatures by i.r. spectroscopy.The spectra obtained are interpreted using the calculation of planar normal vibration frequencies.The electronegative fluorine atom in the 6-position is shown to have a strong influence on the normal vibration frequency changes of crystalline and isolated thymine.N-H...F hydrogen bonds are evidenced to exist in crystalline samples.

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