Description

3',5'-Difluoromethotrexate is a fluorinated analog of the well-known antifolate agent methotrexate, distinguished by fluorine substitutions at the 3' and 5' positions of the phenyl ring. This structural modification is designed to enhance metabolic stability, alter receptor binding affinity, and serve as a crucial biochemical tool for research into dihydrofolate reductase (DHFR) inhibition and folate metabolism. It is primarily utilized by pharmaceutical researchers, medicinal chemists, and academic institutions engaged in oncology and autoimmune disease research, as well as in the development of novel therapeutic agents and diagnostic probes.

Application

• Biochemical Research: A key reference standard and inhibitor in studies of dihydrofolate reductase (DHFR) enzyme kinetics and folate-dependent metabolic pathways.
• Medicinal Chemistry & Drug Discovery: Serves as a critical intermediate or lead compound for the synthesis and evaluation of novel antifolate therapeutics targeting cancer and inflammatory diseases.
• Oncology Research: Used in in vitro and in vivo models to investigate mechanisms of drug resistance, synergy with other chemotherapeutic agents, and tumor cell proliferation.
• Academic & Pharmaceutical R&D: Employed in high-throughput screening assays and structure-activity relationship (SAR) studies to develop more potent and selective DHFR inhibitors.
• Metabolic Pathway Analysis: Acts as a probe to study the impact of fluorination on cellular uptake, polyglutamation, and the folate cycle within biological systems.

Basic Information

Product Name	3',5'-Difluoromethotrexate
CAS No.	34378-64-8
Molecular Formula	C₂₀H₂₀F₂N₈O₅
Molecular Weight	490.42 g/mol
Synonyms	3',5'-Difluoro-MTX; 3',5'-Difluoroamethopterin; N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-3,5-difluoro-L-glutamic acid; (2S)-2-[[4-[[(2,4-Diaminopteridin-6-yl)methyl-(methyl)amino]benzoyl]amino]-3,5-difluoropentanedioic acid; 3,5-Difluoromethotrexate
EINECS	Contact for details

Quality Control

Our 3',5'-Difluoromethotrexate is manufactured under strict quality management systems to ensure batch-to-batch consistency and high purity for research applications. Each lot undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation (NMR, IR). Certificates of Analysis (COA) detailing all specifications are provided with every shipment and available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive); ensure the container is sealed tightly after each use to minimize exposure to atmospheric humidity. For long-term storage, consider desiccants or inert atmosphere.

Specification

Item	Specification
Appearance	Yellow to orange crystalline powder
Identification (HPLC)	Conforms to reference standard
Identification (IR)	Conforms to structure
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.