Lopixibat chloride

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MedKoo CAT#: 319550

CAS#: 228113-66-4 (chloride)

Description: Lopixibat chloride, also known as LUM-001 and SHP-625, is a potent and selective Ileal bile acid transporter inhibitor, and sodium-bile acid cotransporter-inhibitor. Lopixibat is a potential gastrointestinal agents and Genetic disease drug candidate.

Chemical Structure

Lopixibat chloride
CAS# 228113-66-4 (chloride)

Theoretical Analysis

MedKoo Cat#: 319550
Name: Lopixibat chloride
CAS#: 228113-66-4 (chloride)
Chemical Formula: C40H56ClN3O4S
Exact Mass:
Molecular Weight: 710.42
Elemental Analysis: C, 67.63; H, 7.95; Cl, 4.99; N, 5.91; O, 9.01; S, 4.51

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Related CAS #: 228113-66-4 (chloride)   716313-53-0 (cation)    

Synonym: LUM-001; LUM001; LUM 001; SHP-625; SHP 625; SHP625; Lopixibat chloride; Maralixibat; Maralixibat chloride

IUPAC/Chemical Name: 1-(4-((4-((4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenoxy)methyl)benzyl)-1,4-diazabicyclo[2.2.2]octan-1-ium chloride


InChi Code: InChI=1S/C40H56N3O4S.ClH/c1-5-7-19-40(20-8-6-2)30-48(45,46)37-18-15-34(41(3)4)27-36(37)38(39(40)44)33-13-16-35(17-14-33)47-29-32-11-9-31(10-12-32)28-43-24-21-42(22-25-43)23-26-43;/h9-18,27,38-39,44H,5-8,19-26,28-30H2,1-4H3;1H/q+1;/p-1/t38-,39-;/m1./s1

SMILES Code: O=S1(CC(CCCC)(CCCC)[C@H](O)[C@H](C2=CC=C(OCC3=CC=C(C[N+]4(CC5)CCN5CC4)C=C3)C=C2)C6=CC(N(C)C)=CC=C61)=O.[Cl-]

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, not 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

Preparing Stock Solutions

The following data is based on the product molecular weight 710.42 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

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