MedKoo Cat#: 125456 | Name: Volixibat potassium monoethanolate monohydrate

Description:

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

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).

Chemical Structure

Volixibat potassium monoethanolate monohydrate
Volixibat potassium monoethanolate monohydrate
CAS#1351444-01-3 (potassium monoethanolate monohydrate)

Theoretical Analysis

MedKoo Cat#: 125456

Name: Volixibat potassium monoethanolate monohydrate

CAS#: 1351444-01-3 (potassium monoethanolate monohydrate)

Chemical Formula: C40H58KN3O14S2

Exact Mass: 907.3000

Molecular Weight: 908.13

Elemental Analysis: C, 52.90; H, 6.44; K, 4.31; N, 4.63; O, 24.66; S, 7.06

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Synonym
UNII-17D5LDM09J; Volixibat potassium monoethanolate monohydrate; 17D5LDM09J; 1351444-01-3; SHP-626
IUPAC/Chemical Name
potassium;[(2R,3R,4S,5R,6R)-6-[[3-[(3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1λ6-benzothiepin-5-yl]phenyl]carbamoylamino]-3,5-dihydroxy-4-phenylmethoxyoxan-2-yl]methyl sulfate;ethanol;hydrate
InChi Key
RZVOGBCISVYZAK-CMTWHQOSSA-M
InChi Code
InChI=1S/C38H51N3O12S2.C2H6O.K.H2O/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;1-2-3;;/h8-17,19-20,29,31-36,42-44H,5-7,18,21-23H2,1-4H3,(H2,39,40,45)(H,48,49,50);3H,2H2,1H3;;1H2/q;;+1;/p-1/t29-,31-,32-,33-,34+,35-,36-,38-;;;/m1.../s1
SMILES Code
O.[K+].CCO.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

Preparing Stock Solutions

The following data is based on the product molecular weight 908.13 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