Volixibat

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

MedKoo CAT#: 326863

CAS#: 1025216-57-2

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).


Price and Availability

Size
Price

Size
Price

Size
Price

Volixibat is not in stock, but may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 4-5 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

img

Theoretical Analysis

MedKoo Cat#: 326863
Name: Volixibat
CAS#: 1025216-57-2
Chemical Formula: C38H51N3O12S2
Exact Mass: 805.2914
Molecular Weight: 805.955
Elemental Analysis: C, 56.63; H, 6.38; N, 5.21; O, 23.82; S, 7.96


Related CAS #: 1025216-57-2 (free base)   1431935-92-0 (potassium)   1025019-31-1 (ammonium)  

Synonym: LUM-002; LUM 002; LUM002; SHP-626; SHP 626; SHP626; SAR-548304; SAR548304; SAR 548304; Volixibat.

IUPAC/Chemical Name: N-(3-O-benzyl-6-O-sulfo-beta-D-glucopyranosyl)-N'-{3-[(3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-1lambda6-benzothiepin-5-yl]phenyl}urea

InChi Key: ULVBLFBUTQMAGZ-RTNCXNSASA-N

InChi Code: InChI=1S/C38H51N3O12S2/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)/t29-,31-,32-,33-,34+,35-,36-,38-/m1/s1

SMILES Code: O=C(NC1=CC=CC([C@H](C2=CC(N(C)C)=CC=C23)[C@@H](O)[C@](CC)(CCCC)CS3(=O)=O)=C1)N[C@H]4[C@@H]([C@H]([C@@H]([C@@H](COS(=O)(O)=O)O4)O)OCC5=CC=CC=C5)O


Technical Data

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 DMSO

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).

Harmonized System Code:
293490


References

1: Siebers N, Palmer M, Silberg DG, Jennings L, Bliss C, Martin PT. Absorption, Distribution, Metabolism, and Excretion of [(14)C]-Volixibat in Healthy Men: Phase 1 Open-Label Study. Eur J Drug Metab Pharmacokinet. 2017 Jul 12. doi: 10.1007/s13318-017-0429-7. [Epub ahead of print] PubMed PMID: 28702877.