Description

Ethyl 4-((3-chloro-4-methoxybenzyl)amino)-2-(methylsulfanyl)pyrimidine-5-carboxylate (CAS: 330785-81-4) is a high-purity synthetic pyrimidine derivative designed for advanced research and pharmaceutical applications. This compound, with the molecular formula C₁₆H₁₈ClN₃O₃S, features a unique combination of functional groups, including a chloro-methoxybenzylamino moiety and a methylsulfanyl substituent, making it a versatile intermediate for medicinal chemistry and drug discovery. Our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied as a crystalline solid with detailed analytical data (NMR, MS) for quality assurance. Ideal for researchers exploring kinase inhibitors, anticancer agents, or other bioactive small molecules, this compound is packaged under inert conditions to guarantee stability and longevity. Available in quantities ranging from milligrams to kilograms, with custom synthesis options upon request.

Properties

• CAS Number: 330785-81-4
• Complexity: 405
• IUPAC Name: ethyl 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate
• InChI: InChI=1S/C16H18ClN3O3S/c1-4-23-15(21)11-9-19-16(24-3)20-14(11)18-8-10-5-6-13(22-2)12(17)7-10/h5-7,9H,4,8H2,1-3H3,(H,18,19,20)
• InChI Key: WLOQDGSMJNYRRC-UHFFFAOYSA-N
• Exact Mass: 367.0757403
• Molecular Formula: C16H18ClN3O3S
• Molecular Weight: 367.9
• SMILES: CCOC(=O)C1=CN=C(N=C1NCC2=CC(=C(C=C2)OC)Cl)SC
• Topological: 98.6
• Monoisotopic Mass: 367.0757403
• Synonyms: EC 801-713-7, Ethyl 4-((3-chloro-4-methoxybenzyl)amino)-2-(methylsulfanyl)pyrimidine-5-carboxylate, Ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylate, 801-713-7, 330785-81-4, Ethyl 4-((3-chloro-4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate, (5-PyriMidinecarboxylicacid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-(Methylthio)-,ethyl ester), ethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxylate, ethyl 4-{[(3-chloro-4-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate, 5-Pyrimidinecarboxylicacid, 4-[[(3-chloro-4-methoxyphenyl)methyl]amino]-2-(methylthio)-, ethyl ester, ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-(methylthio)pyrimidine-5-carboxylate, 4-(3-Chloro-4-methoxybenzylamino)-5-ethoxycarbonyl-2-methylthiopyrimidine, WLOQDGSMJNYRRC-UHFFFAOYSA-N, MFCD17012695, SCHEMBL1679801, DTXSID50621709, BCP28333, CS-M2880, AKOS015919121, GE-0212, SB57958, ethyl 4-(3-chloro-4-methoxybenzylamino)-2-(methylthio)pyrimidine-5-carboxylate, DA-21742, NS00007376, 2-methylthio-4-(3-chloro-4-methoxybenzylamino)-5-ethoxycarbonylpyrimidine, 2-methylthio-5-ethoxycarbonyl-4-(3-chloro-4-methoxybenzylamino)pyrimidine, Ethyl4-((3-chloro-4-methoxybenzyl)amino)-2-(methylthio)pyrimidine-5-carboxylate

This compound serves as a key intermediate in the synthesis of biologically active pyrimidine derivatives, particularly in the development of kinase inhibitors and anticancer agents. Researchers utilize it to explore structure-activity relationships (SAR) in drug discovery programs targeting signal transduction pathways. Its chloro-methoxybenzylamino group enhances binding affinity to target proteins, while the methylsulfanyl moiety improves metabolic stability. Suitable for both solution-phase and solid-phase synthesis, it is commonly employed in high-throughput screening (HTS) libraries and medicinal chemistry optimization.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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