Bis(choline)tetrathiomolybdate

Base Information

• Chemical Name: Bis(choline)tetrathiomolybdate
• CAS No.: 649749-10-0
• Molecular Formula: C10H28MoN2O2S4
• Molecular Weight: 432.54152
• UNII: FD57A79R4P
• NCI Thesaurus Code: C62514
• Wikidata: Q17005864
• Mol file: 649749-10-0.mol

Synonyms:ammonium tetrathiomolybdate;ATN-224;tetrathiomolybdate;tetrathiomolybdate bis-choline salt;tetrathiomolybdate, dipotassium salt;tetrathiomolybdate, disodium salt;thiomolybdate;TTM cpd

Chemical Property of Bis(choline)tetrathiomolybdate

Chemical Property:

• PSA: 118.06000
• LogP: 0.12600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 436.024417
• Heavy Atom Count: 19
• Complexity: 65.7

Purity/Quality:

97% ^*data from raw suppliers

ATN-224 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CCO.C[N+](C)(C)CCO.[SH-].[SH-].S=[Mo]=S
• Recent ClinicalTrials: Bioavailability Study of 2 Oral Formulations of ALXN1840
• Recent EU Clinical Trials: A multicenter, randomized, controlled, open-label, rater-blinded study to evaluate efficacy, safety, pharmacokinetics, and pharmacodynamics of ALXN1840 versus standard of care in pediatric participants with Wilson disease.
• Description: ATN-224 is a choline salt of tetrathiomolybdate and an inhibitor of superoxide dismutase 1 (SOD1; IC50s = 2.91 and 3.51 μM in human and mouse blood cells, respectively, in vitro). ATN-224 reduces the viability of cultured oxidative stress-resistant WEHI7.2 murine thymic lymphoma cells (EC50s = 5-6 nM) and human diffuse large B cell lymphoma cell lines (EC50s = 9.73-105.61 nM) independently of Bcl-2 and Bcl-xL. In vivo, ATN-224 (0.7 mg/kg) chelates copper to stabilize an antitumor viral vector, enhancing its efficacy against lung metastases in mice. It also inhibits angiogenesis in a mouse model (IC50s = 1.50-3 mg/kg via gavage).

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