Volixibat

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MedKoo CAT#: 326863

CAS#: 1025216-57-2 (free base)

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).


Chemical Structure

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Volixibat
CAS# 1025216-57-2 (free base)

Theoretical Analysis

MedKoo Cat#: 326863
Name: Volixibat
CAS#: 1025216-57-2 (free base)
Chemical Formula: C38H51N3O12S2
Exact Mass: 805.29
Molecular Weight: 805.955
Elemental Analysis: C, 56.63; H, 6.38; N, 5.21; O, 23.82; S, 7.96

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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: 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

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).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 805.96 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:
In vitro protocol:
In vivo protocol:

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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.