Description

3-[[[[3-(5-Bromo-2-Methoxyphenyl)-1-Oxo-2-Propenyl]Amino]Thioxomethyl]Amino]-4-Methyl-Benzoic Acid is a high-purity, advanced pharmaceutical intermediate characterized by its complex molecular structure containing bromo, methoxy, and benzoic acid functional groups. This compound is critical for research and development in medicinal chemistry, serving as a key building block for synthesizing novel active pharmaceutical ingredients (APIs). It is primarily utilized by pharmaceutical R&D laboratories and fine chemical manufacturers targeting therapeutic areas where its specific scaffold is of interest.

Application

• Pharmaceutical Intermediate: Serves as a crucial precursor in the multi-step synthesis of potential drug candidates, particularly in oncology and central nervous system (CNS) therapeutic research.
• Medicinal Chemistry Research: Used as a scaffold for structure-activity relationship (SAR) studies to optimize potency, selectivity, and pharmacokinetic properties of new chemical entities.
• Bioconjugation & Probe Development: Its reactive functional groups make it suitable for developing chemical probes, affinity labels, or for bioconjugation applications in biochemical research.
• Fine Chemical Synthesis: Employed in the production of complex, high-value specialty chemicals for advanced material science and agrochemical research.

Basic Information

Product Name	3-[[[[3-(5-Bromo-2-Methoxyphenyl)-1-Oxo-2-Propenyl]Amino]Thioxomethyl]Amino]-4-Methyl-Benzoic Acid
CAS No.	535964-53-5
Molecular Formula	C19H16BrN3O4S
Molecular Weight	462.32 g/mol
Synonyms	4-Methyl-3-({[(3E)-3-[(5-bromo-2-methoxyphenyl)carbamoyl]prop-2-en-1-yl]carbamothioyl}amino)benzoic acid; 3-({[(3E)-3-[(5-Bromo-2-methoxyphenyl)carbamoyl]prop-2-en-1-yl]carbamothioyl}amino)-4-methylbenzoic acid; Benzoic acid, 3-[[[[3-(5-bromo-2-methoxyphenyl)-1-oxo-2-propenyl]amino]thioxomethyl]amino]-4-methyl-; 535964-53-5; (E)-3-((3-(5-Bromo-2-methoxyphenyl)acryloyl)carbamothioylamino)-4-methylbenzoic acid
EINECS	Contact for details

Quality Control

Our production of 3-[[[[3-(5-Bromo-2-Methoxyphenyl)-1-Oxo-2-Propenyl]Amino]Thioxomethyl]Amino]-4-Methyl-Benzoic Acid adheres to stringent quality management systems to ensure batch-to-batch consistency and high purity. Each lot is subjected to comprehensive analytical testing, including HPLC for purity assay and identity confirmation via spectroscopic methods (NMR, IR, MS). Certificates of Analysis (COA) detailing all specifications and test results are provided and can be tailored to meet specific client or regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). The compound may be light-sensitive and should be handled under appropriate conditions to maintain stability. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (HPLC)	Conforms
Identification (IR)	Conforms to reference spectrum
Purity (HPLC)	≥ 97.0%
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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