Description

Ethyl 4-({[4-(2-{[(4,4-Dimethyl-2,6-Dioxocyclohexylidene)Methyl]Amino}Ethyl)-1-Piperazinyl]Carbothioyl}Amino)Benzoate is a sophisticated organic compound featuring a piperazine-thiourea core linked to a benzoate ester and a dioxocyclohexylidene moiety. This complex structure makes it a valuable advanced pharmaceutical intermediate and a versatile building block for medicinal chemistry research. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical and biotechnology sectors for the synthesis of novel therapeutic agents.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of potential drug candidates, particularly those targeting neurological or oncological pathways.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies and lead optimization programs due to its complex, multi-functional scaffold.
• Chemical Biology Probe Development: Serves as a precursor for creating molecular probes to study enzyme function or protein-protein interactions.
• Custom Synthesis: Employed by contract research and manufacturing organizations (CROs/CMOs) for client-specific synthetic projects.
• Library Synthesis: A valuable input for generating diverse compound libraries for high-throughput screening in drug discovery.

Basic Information

Product Name	Ethyl 4-({[4-(2-{[(4,4-Dimethyl-2,6-Dioxocyclohexylidene)Methyl]Amino}Ethyl)-1-Piperazinyl]Carbothioyl}Amino)Benzoate
CAS No.	333758-57-9
Molecular Formula	C25H33N5O4S
Molecular Weight	499.63 g/mol
Synonyms	Ethyl 4-({[4-(2-{[(4,4-Dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)-1-piperazinyl]carbothioyl}amino)benzoate; 4-({[4-(2-{[(4,4-Dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)-1-piperazinyl]carbothioyl}amino)benzoic acid ethyl ester; Benzoic acid, 4-[[[[4-[2-[[(4,4-dimethyl-2,6-dioxo-1-cyclohexen-1-yl)methyl]amino]ethyl]-1-piperazinyl]thioxomethyl]amino]-, ethyl ester; CAS 333758-57-9
EINECS	Contact for details

Quality Control

Our high-purity pharmaceutical intermediate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment. We support development and cGMP-grade requirements, with specifications tailored to your project phase.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive); therefore, the container must be kept tightly sealed and consideration should be given to storage under an inert atmosphere for long-term preservation.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%
Heavy Metals	≤ 20 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.