125083-80-9

• 

• Basic information

  1. Product Name: 1-[(2-hydroxyethoxy)methyl]-6-[(4-methoxyphenyl)sulfanyl]-5-methylpyrimidine-2,4(1H,3H)-dione
  2. Synonyms: 1-((2-Hydroxyethoxy)methyl)-6-((4-methoxyphenyl)thio)thymine; 1-[(2-Hydroxyethoxy)methyl]-6-[(4-methoxyphenyl)thio]thymine; 2,4(1H,3H)-pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-6-[(4-methoxyphenyl)thio]-5-methyl-
  3. CAS NO:125083-80-9
  4. Molecular Formula: C₁₅H₁₈N₂O₅S
  5. Molecular Weight: 338.3788
  6. EINECS: N/A
  7. Product Categories: N/A
  8. Mol File: 125083-80-9.mol
  9. Article Data: 1

• Chemical Properties

  1. Melting Point: N/A
  2. Boiling Point: N/A
  3. Flash Point: N/A
  4. Appearance: N/A
  5. Density: 1.39g/cm³
  6. Refractive Index: 1.63
  7. Storage Temp.: N/A
  8. Solubility: N/A
  9. CAS DataBase Reference: 1-[(2-hydroxyethoxy)methyl]-6-[(4-methoxyphenyl)sulfanyl]-5-methylpyrimidine-2,4(1H,3H)-dione(CAS DataBase Reference)
  10. NIST Chemistry Reference: 1-[(2-hydroxyethoxy)methyl]-6-[(4-methoxyphenyl)sulfanyl]-5-methylpyrimidine-2,4(1H,3H)-dione(125083-80-9)
  11. EPA Substance Registry System: 1-[(2-hydroxyethoxy)methyl]-6-[(4-methoxyphenyl)sulfanyl]-5-methylpyrimidine-2,4(1H,3H)-dione(125083-80-9)

• 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: 125083-80-9(Hazardous Substances Data)

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• 2,4(1H,3H)-Pyrimidinedione,1-[(2-hydroxyethoxy)methyl]-6-[(4-methoxyphenyl)thio]-5-methyl-

  Cas No: 125083-80-9

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125083-80-9 Usage

Molecular structure

A complex chemical compound with a pyrimidine ring as its core structure.

Functional groups

Contains a methyl group at the 5th position, a sulfur-containing phenyl group at the 6th position, and a hydroxyethoxy methyl group at the 1st position of the pyrimidine ring.

Molecular weight

Approximately 331.39 g/mol

Potential applications

Has potential pharmaceutical applications due to its structural features.

Biological activity

May exhibit biological activity in various contexts, but further research and testing are necessary to fully understand its properties and potential uses.

Solubility

The solubility of this compound in different solvents is not provided in the material, but it may vary depending on the functional groups and molecular structure.

Stability

Information about the stability of this compound under different conditions is not provided, but it may be influenced by factors such as temperature, pH, and exposure to light or air.

Synthesis

The synthesis method for this compound is not provided, but it likely involves multiple steps and the formation of various intermediates.

Purity

The purity of this compound is not specified, but it may be affected by the presence of impurities or by-products from the synthesis process. Further purification steps may be necessary to obtain a high-purity product.

Check Digit Verification of cas no

The CAS Registry Mumber 125083-80-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,5,0,8 and 3 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 125083-80:
(8*1)+(7*2)+(6*5)+(5*0)+(4*8)+(3*3)+(2*8)+(1*0)=109
109 % 10 = 9
So 125083-80-9 is a valid CAS Registry Number.

125083-80-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name	1-(2-hydroxyethoxymethyl)-6-(4-methoxyphenyl)sulfanyl-5-methylpyrimidine-2,4-dione

1.2 Other means of identification

Product number	-
Other names	4'-MeOHEPT

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:125083-80-9 SDS

125083-80-9Upstream product

• 5335-87-5 4,4'-dimethoxyphenyl disulfide 
• 121749-98-2 1-<<2-<(tert-butyldimethylsilyl)oxy>ethoxy>methyl>thymine 

125083-80-9Downstream Products

125083-80-9Relevant 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

Tanaka, Hiromichi,Takashima, Hideaki,Ubasawa, Masaru,Sekiya, Kouichi,Nitta, Iasei,et al.

, p. 337 - 345 (2007/10/02)

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.

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