WARNING: This product is for research use only, not for human or veterinary use.
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.
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
Lopixibat chloride 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 2-3 months. Please send email to sales@medkoo.com to inquire quote.
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 Key: POMVPJBWDDJCMP-RUKDTIIFSA-M
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-]
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.
| 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 |
