125056-66-8

Basic information

• Product Name: 1-[(2-hydroxyethoxy)methyl]-5-methyl-6-[(2-nitrophenyl)sulfanyl]pyrimidine-2,4(1H,3H)-dione
• Synonyms: 1-((2-Hydroxyethoxy)methyl)-6-((2-nitrophenyl)thio)thymine; 1-[(2-Hydroxyethoxy)methyl]-6-[(2-nitrophenyl)thio]thymine
• CAS NO: 125056-66-8
• Molecular Formula: C₁₄H₁₅N₃O₆S
• Molecular Weight: 353.3504
• Mol File: 125056-66-8.mol
• Article Data: 1

Chemical Properties

• Density: 1.51g/cm³
• Refractive Index: 1.663
• CAS DataBase Reference: 1-[(2-hydroxyethoxy)methyl]-5-methyl-6-[(2-nitrophenyl)sulfanyl]pyrimidine-2,4(1H,3H)-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[(2-hydroxyethoxy)methyl]-5-methyl-6-[(2-nitrophenyl)sulfanyl]pyrimidine-2,4(1H,3H)-dione(125056-66-8)
• EPA Substance Registry System: 1-[(2-hydroxyethoxy)methyl]-5-methyl-6-[(2-nitrophenyl)sulfanyl]pyrimidine-2,4(1H,3H)-dione(125056-66-8)

Safety Data

• Hazardous Substances Data: 125056-66-8(Hazardous Substances Data)

Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule of the compound.
2. Pyrimidine-2,4(1H,3H)-dione core

Explanation

The core structure of the compound is a pyrimidine ring with two carbonyl groups (C=O) at the 2nd and 4th positions.
3. 2-Nitrophenylsulfanyl group at the 6-position

Explanation

A 2-nitrophenylsulfanyl group (a phenyl ring with a nitro group at the 2nd position and a sulfur atom attached to the phenyl ring) is attached to the 6th position of the pyrimidine core.
4. Hydroxyethoxymethyl group at the 1-position

Explanation

A hydroxyethoxymethyl group (a methyl group with an ethoxy chain ending in a hydroxyl group) is attached to the 1st position of the pyrimidine core.
5. Methyl group at the 5-position

Explanation

A methyl group (a single carbon atom with three hydrogen atoms) is attached to the 5th position of the pyrimidine core.
6. Potential use in pharmaceuticals

Explanation

Due to the presence of various functional groups, the compound may have potential applications in the development of pharmaceuticals.
7. Presence of pyrimidine and nitrophenylsulfanyl functional groups

Explanation

These functional groups may contribute to the compound's biological activities and potential pharmaceutical applications.
8. Further research and study required

Explanation

To fully understand the properties and potential applications of this compound, additional research and study are necessary.

Upstream product

• 121749-98-2 1-<<2-<(tert-butyldimethylsilyl)oxy>ethoxy>methyl>thymine 
• 1155-00-6 bis(2-nitrophenyl)disulfide 

Relevant articles and documents

Structure-Activity Relationships of 1--6-(phenylthio)thymine Analogues: Effect of Substitutions at the C-6 Phenyl Ring and at the C-5 Position on Anti-HIV-1 Activity

The effect of substitution on the pyrimidine moiety of 1--6-(phenylthio)thymine (HEPT) and 1--6-(phenylthio)-2-thiothymine (HEPT-S) on anti-HIV-1 activity was investigated by synthesizing a series of 5-methyl-6-(arylthio) and 5-substituted-6-(phenylthio) derivatives.Preparation of the 5-methyl-6-(arylthio) derivatives was carried out based on either LDA lithiation of 1-methyl>thymine (3) and 1-methyl>-2-thiothymine (4) followed by reaction with diaryl disulfides or an addition-elimination reaction of 1-methyl>-6-(phenylsulfinyl)thymine (31) with aromatic thiols.Preparation of the 5-substituted-6-(phenylthio) derivatives was carried out based on either C-5 lithiation of the 1-methyl>-6-(phenylthio)uracil (41) with LTMP or the LDA lithiation of 5-alkyl-1-methyl>-2-thiouracil derivatives 45-47.Substitution at the meta position of the C-6-(phenylthio) ring by the methyl group improved the original anti-HIV-1 activity of HEPT, and introduction of two m-methyl groups to the phenylthio ring further potentiated the activity -1-thymine (28), 0.26 μM; 6--1--2-thiothymine (30), 0.22 μM>.When the 5-methyl group was replaced by an ethyl or an isopropyl group, the anti-HIV-1 activity of HEPT was also improved remarkably -6-(phenylthio)-2-thiouracil (48), 0.11 μM; 5-isopropyl-1--6-(phenylthio)-2-thiouracil (50), 0.059 μM; 5-ethyl-1--6-(phenylthio)-2-thiouracil (54), 0.12 μM; 5-isopropyl-1--6-(phenylthio)-2-thiouracil (56), 0.063 μM>. 6--5-ethyl-1-thymine derivatives 51 and 57 and 6--5-isopropyl-1-thymine derivatives 52 and 58 inhibited the replication of HIV-1 in the nanomolar concentration range.