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MedKoo Cat#: 529715 | Name: Bis-choline tetrathiomolybdate
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Bis-choline tetrathiomolybdate is a cytosolic superoxide dismutase (SOD1) inhibitor potentially for the treatment of Wilson's disease.

Chemical Structure

Bis-choline tetrathiomolybdate
Bis-choline tetrathiomolybdate
CAS#649749-10-0

Theoretical Analysis

MedKoo Cat#: 529715

Name: Bis-choline tetrathiomolybdate

CAS#: 649749-10-0

Chemical Formula: C10H28MoN2O2S4

Exact Mass: 0.0000

Molecular Weight: 432.54

Elemental Analysis: C, 27.77; H, 6.53; Mo, 22.18; N, 6.48; O, 7.40; S, 29.65

Price and Availability

Size Price Availability Quantity
10mg USD 150.00 Ready to ship
25mg USD 250.00 Ready to ship
50mg USD 450.00 Ready to ship
100mg USD 750.00 Ready to ship
200mg USD 1,350.00 Ready to ship
500mg USD 2,950.00 Ready to ship
1g USD 4,250.00 Ready to ship
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Related CAS #
No Data
Synonym
Bis-choline tetrathiomolybdate; Decuprate; ATN-224; ATN 224; ATN224; ALXN1840; ALXN-1840; ALXN 1840;
IUPAC/Chemical Name
2-hydroxy-N,N,N-trimethylethan-1-aminium tetrathiomolybdate
InChi Key
NEYVHGQOGHJAAD-UHFFFAOYSA-N
InChi Code
InChI=1S/2C5H14NO.Mo.4S/c2*1-6(2,3)4-5-7;;;;;/h2*7H,4-5H2,1-3H3;;;;;/q2*+1;;;;2*-1
SMILES Code
S=[Mo]([S-])([S-])=S.OCC[N+](C)(C)C.OCC[N+](C)(C)C
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in water
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Biological target:
ATN-224 is an inhibitor of superoxide dismutase 1 (SOD1) with IC50s = 2.91 and 3.51 µM in human and mouse blood cells, respectively.
In vitro activity:
ATN-224 induced peroxynitrite-dependent cell death, independent of Bcl-2 status, at nanomolar concentrations in cell culture models of T cell lymphoid malignancies. To determine the ability of ATN-224 to induce cell death in primary patient samples, ATN-224 was tested in pre-treatment, precursor B cell acute lymphoblastic leukemia (B-ALL), which commonly overexpresses Bcl-2. Five B-ALL samples were treated with 12.5 nM and 25 nM concentrations of ATN-224 for 24 h. A decrease in the number of viable cells in all five B-ALL samples was observed (Figure 7). There appears to be a concentration dependent decrease occurring in most of the samples, with responses ranging from 11–51% at 12.5 nM and 14–46% at 25 nM. These results imply that ATN-224 has therapeutic potential in the treatment of B cell lymphoid malignancies, and may be particularly useful in those malignancies which overexpress Bcl-2. Reference: Free Radic Biol Med. 2013 Jul;60:157-67. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3654089/
In vivo activity:
TBD
Solvent mg/mL mM
Solubility
DMSO 20.0 46.24
DMSO:PBS (pH 7.2) 0.5 1.16
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 432.54 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
1. Lee K, Briehl MM, Mazar AP, Batinic-Haberle I, Reboucas JS, Glinsmann-Gibson B, Rimsza LM, Tome ME. The copper chelator ATN-224 induces peroxynitrite-dependent cell death in hematological malignancies. Free Radic Biol Med. 2013 Jul;60:157-67. doi: 10.1016/j.freeradbiomed.2013.02.003. Epub 2013 Feb 14. PMID: 23416365; PMCID: PMC3654089. 2. Lee K, Hart MR, Briehl MM, Mazar AP, Tome ME. The copper chelator ATN-224 induces caspase-independent cell death in diffuse large B cell lymphoma. Int J Oncol. 2014 Jul;45(1):439-47. doi: 10.3892/ijo.2014.2396. Epub 2014 Apr 23. PMID: 24788952; PMCID: PMC4079159.
In vitro protocol:
1. Lee K, Briehl MM, Mazar AP, Batinic-Haberle I, Reboucas JS, Glinsmann-Gibson B, Rimsza LM, Tome ME. The copper chelator ATN-224 induces peroxynitrite-dependent cell death in hematological malignancies. Free Radic Biol Med. 2013 Jul;60:157-67. doi: 10.1016/j.freeradbiomed.2013.02.003. Epub 2013 Feb 14. PMID: 23416365; PMCID: PMC3654089. 2. Lee K, Hart MR, Briehl MM, Mazar AP, Tome ME. The copper chelator ATN-224 induces caspase-independent cell death in diffuse large B cell lymphoma. Int J Oncol. 2014 Jul;45(1):439-47. doi: 10.3892/ijo.2014.2396. Epub 2014 Apr 23. PMID: 24788952; PMCID: PMC4079159.
In vivo protocol:
TBD
1: Borchard S, Raschke S, Zak KM, Eberhagen C, Einer C, Weber E, Müller SM, Michalke B, Lichtmannegger J, Wieser A, Rieder T, Popowicz GM, Adamski J, Klingenspor M, Coles AH, Viana R, Vendelbo MH, Sandahl TD, Schwerdtle T, Plitz T, Zischka H. Bis-choline tetrathiomolybdate prevents copper-induced blood-brain barrier damage. Life Sci Alliance. 2021 Dec 2;5(3):e202101164. doi: 10.26508/lsa.202101164. PMID: 34857647; PMCID: PMC8675913. 2: Houwen R. Bis-choline tetrathiomolybdate for Wilson's disease. Lancet Gastroenterol Hepatol. 2017 Dec;2(12):839-840. doi: 10.1016/S2468-1253(17)30325-4. Epub 2017 Oct 5. PMID: 28988935. 3: Stremmel W. Bis-choline Tetrathiomolybdate as Old Drug in a New Design for Wilson's Disease: Good for Brain and Liver? Hepatology. 2019 Feb;69(2):901-903. doi: 10.1002/hep.30130. Epub 2018 Dec 28. PMID: 30070374; PMCID: PMC6590651. 4: Kim P, Zhang CC, Thoröe-Boveleth S, Buhl EM, Weiskirchen S, Stremmel W, Merle U, Weiskirchen R. Analyzing the Therapeutic Efficacy of Bis-Choline- Tetrathiomolybdate in the Atp7b-/- Copper Overload Mouse Model. Biomedicines. 2021 Dec 8;9(12):1861. doi: 10.3390/biomedicines9121861. PMID: 34944677; PMCID: PMC8698685. 5: Weiss KH, Askari FK, Czlonkowska A, Ferenci P, Bronstein JM, Bega D, Ala A, Nicholl D, Flint S, Olsson L, Plitz T, Bjartmar C, Schilsky ML. Bis-choline tetrathiomolybdate in patients with Wilson's disease: an open-label, multicentre, phase 2 study. Lancet Gastroenterol Hepatol. 2017 Dec;2(12):869-876. doi: 10.1016/S2468-1253(17)30293-5. Epub 2017 Oct 5. PMID: 28988934. 6: Plitz T, Boyling L. Metabolic disposition of WTX101 (bis-choline tetrathiomolybdate) in a rat model of Wilson disease. Xenobiotica. 2019 Mar;49(3):332-338. doi: 10.1080/00498254.2018.1443352. Epub 2018 Feb 27. PMID: 29460662. 7: Kirk FT, Munk DE, Swenson ES, Quicquaro AM, Vendelbo MH, Larsen A, Schilsky ML, Ott P, Sandahl TD. Effects of tetrathiomolybdate on copper metabolism in healthy volunteers and in patients with Wilson disease. J Hepatol. 2024 Apr;80(4):586-595. doi: 10.1016/j.jhep.2023.11.023. Epub 2023 Dec 10. PMID: 38081365.