WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: 125608
CAS#: 1025019-31-1 (ammonium)
Description: Volixibat, also known as LUM-002, SHP-626, SAR-548304, is a medication under development as a possible treatment for nonalcoholic steatohepatitis (NASH), the most severe form of non-alcoholic fatty liver disease (NAFLD). No other pharmacotherapy yet exists for NASH, so there is interest in whether volixibat can prove to be both safe and effective. Volixibat is an IBAT inhibitor, meaning that it blocks the function of the IBAT protein (ileal bile acid transporter), which is also called SLC10A2 (solute carrier family 10 member 2) or ASBT (apical sodium–bile acid transporter).
Hodoodo Cat#: 125608
Name: Volixibat ammonium
CAS#: 1025019-31-1 (ammonium)
Chemical Formula: C38H54N4O12S2
Exact Mass: 822.32
Molecular Weight: 822.990
Elemental Analysis: C, 55.46; H, 6.61; N, 6.81; O, 23.33; S, 7.79
This product is not in stock, which may be available by custom synthesis.
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Related CAS #: 1025216-57-2 (free base) 1431935-92-0 (potassium) 1025019-31-1 (ammonium) 1351444-01-3 (potassium monoethanolate monohydrate)
Synonym: Volixibat ammonium; UNII-8K586D4H9I; 8K586D4H9I; 1025019-31-1
IUPAC/Chemical Name: ammonium ((2R,3R,4S,5R,6R)-4-(benzyloxy)-6-(3-(3-((3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenyl)ureido)-3,5-dihydroxytetrahydro-2H-pyran-2-yl)methyl sulfate
InChi Key: JHFURPGPOZEEFG-DXFHJFHKSA-N
InChi Code: InChI=1S/C38H51N3O12S2.H3N/c1-5-7-18-38(6-2)23-54(46,47)30-17-16-27(41(3)4)20-28(30)31(35(38)44)25-14-11-15-26(19-25)39-37(45)40-36-33(43)34(51-21-24-12-9-8-10-13-24)32(42)29(53-36)22-52-55(48,49)50;/h8-17,19-20,29,31-36,42-44H,5-7,18,21-23H2,1-4H3,(H2,39,40,45)(H,48,49,50);1H3/t29-,31-,32-,33-,34+,35-,36-,38-;/m1./s1
SMILES Code: [NH4+].CCCC[C@]1(CC)CS(=O)(=O)C2=CC=C(C=C2[C@H]([C@H]1O)C3=CC(NC(=O)N[C@@H]4O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](OCC5=CC=CC=C5)[C@H]4O)=CC=C3)N(C)C
Appearance: To be determined
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: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
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: | |
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The following data is based on the product molecular weight 822.99 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.
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: | |
In vitro protocol: | |
In vivo protocol: |