Trimetrexate glucuronate

Base Information

• Chemical Name: Trimetrexate glucuronate
• CAS No.: 82952-64-5
• Molecular Formula: C₆H₁₀O₇*C₁₉H₂₃N₅O₃
• Molecular Weight: 563.565
• European Community (EC) Number: 692-446-3
• UNII: L137U4A79K
• DSSTox Substance ID: DTXSID90273968
• Wikidata: Q27282570
• NCI Thesaurus Code: C1265
• Mol file: 82952-64-5.mol

Synonyms:NeuTrexin;NSC 352122;NSC-352122;trimetrexate glucuronate;trimetrexate glucuronic acid combination

Chemical Property of Trimetrexate glucuronate

Chemical Property:

• Vapor Pressure: 1.26E-16mmHg at 25°C
• Boiling Point: 647 °C at 760 mmHg
• Flash Point: 345.1 °C
• PSA: 244.99000
• Density: 1.305 g/cm³
• LogP: 0.84680
• Storage Temp.: Store at -20°C
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 11
• Exact Mass: 563.22274227
• Heavy Atom Count: 40
• Complexity: 648

Purity/Quality:

99% ^*data from raw suppliers

CI 898 trihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C(=O)C(C(C(C(C(=O)O)O)O)O)O
• Isomeric SMILES: CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O
• Recent ClinicalTrials: A Study of Trimetrexate in the Treatment of Pneumocystis Carinii Pneumonia (PCP) in Patients With AIDS Not Previously Treated for PCP
• Description: Trimetrexate glucuronate is a nonclassical antifolate introduced in the U.S.A. and Canada as second-line therapy for the treatment of Pneumocystis carinii pneumonia (PCP) and toxoplasmosis in AIDS patients who are refractory or intolerant to co-trimoxazole therapy. Trimetrexate glucuronate is reportedly to be in clinical trials for the treatment of several types of cancer including colorectal, gastric, pancreas, prostate, bladder, lung, breast, head, and neck cancers. It is also in early clinical trials for topical use in treating psoriasis and as an oral drug to treat rheumatoid arthritis. The mechanism of action of trimetrexate glucuronate is via inhibition of the enzyme dihydrofolate reductase which mediates the reduction of dihydrofolate to tetrahydrofolic acid and results in disruption of DNA, RNA and protein synthesis, with consequent cell death. Due to its toxicity to bone marrow and the GI tract, trimetrexate glucuronate must be concurrently administered with leucovorin as a rescue agent.
• Uses: Antineoplastic. CI 898 Glucuronate is a dihydrofolate reductase (DHFR) inhibitor.
• Therapeutic Function: Antineoplastic

Technology Process of Trimetrexate glucuronate

There total 1 articles about Trimetrexate glucuronate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ trimetrexate glucuronate (82952-64-5)

Guidance literature:

Refernces