1169698-65-0

Basic information

• Product Name: 1,1-dimethylethyl 4-((2-bromo-1,3-thiazol-4-yl)carbonyl)-1-piperazinecarboxylate
• CAS NO: 1169698-65-0
• Molecular Weight: 376.274
• Mol File: 1169698-65-0.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1,1-dimethylethyl 4-((2-bromo-1,3-thiazol-4-yl)carbonyl)-1-piperazinecarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1-dimethylethyl 4-((2-bromo-1,3-thiazol-4-yl)carbonyl)-1-piperazinecarboxylate(1169698-65-0)
• EPA Substance Registry System: 1,1-dimethylethyl 4-((2-bromo-1,3-thiazol-4-yl)carbonyl)-1-piperazinecarboxylate(1169698-65-0)

Safety Data

• Hazardous Substances Data: 1169698-65-0(Hazardous Substances Data)

Usage

Piperazinecarboxylate derivative

The compound is derived from piperazine, a heterocyclic amine, with a carboxylate group attached.

2-bromo-1,3-thiazol-4-ylcarbonyl group attached to the piperazine ring

This functional group is responsible for the compound's unique properties and potential applications.

Pharmaceutical research

The compound is used as a building block for the synthesis of potential drug candidates.

Therapeutic applications

It has potential therapeutic applications, particularly in the treatment of psychiatric and neurological disorders.

Antimicrobial properties

The compound has been studied for its ability to inhibit the growth of microorganisms, making it useful in the development of antimicrobial agents.

Antifungal properties

It also has potential antifungal properties, which could be useful in the development of antifungal medications.

Versatile and valuable chemical compound

Due to its various properties and potential applications, the compound is considered valuable in medical and scientific fields.

Structure

The compound has a complex structure with multiple functional groups, which contribute to its unique properties and potential uses.

Upstream product

• 5198-88-9 2-bromothiazole-4-carboxylic Acid 
• 57260-71-6 1-t-Butoxycarbonylpiperazine 

Relevant articles and documents

Synthesis and evaluation of 2-(4-[4-acetylpiperazine-1-carbonyl] phenyl)-1H-benzo[d]imidazole-4-carboxamide derivatives as potential PARP-1 inhibitors and preliminary study on structure-activity relationship

Although 1H-benzo[d]imidazole-4-carboxamide derivatives have been explored for a long time, the structure–activity relationship of the substituents in the hydrophobic pocket (AD binding sites) has not thoroughly discovered. Here in, a series of 2-(4-[4-acetylpiperazine-1-carbonyl]phenyl)-1H-benzo[d]imidazole-4-carboxamide derivatives have been designed, synthesized, and successful characterization as novel and effective poly ADP-ribose polymerases (PARP)-1 inhibitors to improve the structure–activity relationships about the substituents in the hydrophobic pocket. These derivatives were evaluated for their PARP-1 inhibitory activity and cellular inhibitory against BRCA-1 deficient cells (MDA-MB-436) and wild cells (MCF-7) using PARP kit assay and MTT method. The results indicated that compared with other heterocyclic compounds, furan ring-substituted derivatives 14n-14q showed better PARP-1 inhibitory activity. Among this derivatives, compound 14p displayed the strongest inhibitory effects on PARP-1 enzyme (IC50?=?0.023 μM), which was close to that of Olaparib. 14p (IC50?=?43.56 ± 0.69 μM) and 14q (IC50?=?36.69 ± 0.83 μM) displayed good antiproliferation activity on MDA-MB-436 cells and inactivity on MCF-7 cells, indicating that 14p and 14q have high selectivity and targeting. The molecular docking method was used to explore the binding mode of compound 14p and PARP-1, and implied that the formation of hydrogen bond was essential for PARP-1 inhibition activities. This study also showed that in the hydrophobic pocket (AD binding sites), the introduction of strong electronegative groups (furan ring, e.g.) or halogen atoms in the side chain of benzimidazole might improve its inhibitory activity and this strategy could be applied in further research.