structure of 7-(Chloromethyl)-2,3-dimethyl-5H-thiazolo[3,2-a]pyrimidin-5-one

7-(Chloromethyl)-2,3-dimethyl-5H-thiazolo[3,2-a]pyrimidin-5-one

CAS No.: 100003-82-5
M. Wt: 228.69900
M. Fa: C9H9ClN2OS
InChI Key: HLZAYTBCQHKUMI-UHFFFAOYSA-N

Names and Identifiers of 100003-82-5

CAS Number

100003-82-5

MDL Number

MFCD09971919

IUPAC Name

7-(chloromethyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

InChI

InChI=1S/C9H9ClN2OS/c1-5-6(2)14-9-11-7(4-10)3-8(13)12(5)9/h3H,4H2,1-2H3

InChIKey

HLZAYTBCQHKUMI-UHFFFAOYSA-N

Canonical SMILES

CC1=C(SC2=NC(=CC(=O)N12)CCl)C

UNSPSC Code

12352100

Physical and chemical properties of 100003-82-5

Exact Mass

228.01200

H Bond Acceptors

2

H Bond Donors

0

LogP

2.11160

Molecular Formula

C9H9ClN2OS

Molecular Weight

228.69900

PSA

62.61000

Safety Information of 100003-82-5

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 100003-82-5

The applications of 7-(Chloromethyl)-2,3-dimethyl-5H-thiazolo[3,2-a]pyrimidin-5-one span several fields:

  • Pharmaceutical Development: Due to its biological activities, it is being explored as a lead compound for the development of new antimicrobial and anticancer drugs.
  • Research Tool: It serves as a valuable reagent in biochemical research for studying enzyme interactions and metabolic pathways.
  • Agricultural Chemistry: Potential applications in agrochemicals for pest control are also being investigated due to its antimicrobial properties.

Interaction Studies of 100003-82-5

Interaction studies involving 7-(Chloromethyl)-2,3-dimethyl-5H-thiazolo[3,2-a]pyrimidin-5-one focus on its binding affinity with various biological targets:

  • Enzyme Binding: Studies have shown that this compound can bind effectively to certain enzymes, inhibiting their activity and affecting metabolic processes.
  • Cellular Uptake: Research into how this compound is absorbed by cells provides insights into its bioavailability and potential therapeutic efficacy.
  • Synergistic Effects: Investigations into combination therapies reveal that it may enhance the effects of other drugs when used concurrently.

Biological Activity of 100003-82-5

Research indicates that 7-(Chloromethyl)-2,3-dimethyl-5H-thiazolo[3,2-a]pyrimidin-5-one exhibits notable biological activities. Preliminary studies suggest:

  • Antimicrobial Properties: The compound has demonstrated effectiveness against various bacterial strains, indicating potential as an antimicrobial agent.
  • Anticancer Activity: Some studies have highlighted its ability to inhibit cancer cell proliferation, making it a candidate for further investigation in cancer therapeutics.
  • Enzyme Inhibition: It may act as an inhibitor for specific enzymes involved in metabolic pathways, which could have implications for drug design.