Lopixibat chloride - CAS 228113-66-4
Catalog number: 228113-66-4
Category: Inhibitor
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Molecular Formula:
C40H56ClN3O4S
Molecular Weight:
710.41
COA:
Inquire
Targets:
Na+/Cl- Cotransporter
Description:
Lopixibat, also called as LUM-001 and Maralixibat, is an inhibitor of the sodium bile acid cotransporter and a selective Ileal bile acid transporter inhibitor. Lopixibat is in development for the treatment of cholestatic liver disorders in paediatric and adult patients.
Purity:
>98%
Appearance:
Solid powder
Synonyms:
(4R,5R)-5-[4-[[4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-ylmethyl)phenyl]methoxy]phenyl]-3,3-dibutyl-7-(dimethylamino)-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol;chloride; LUM-001; LUM001; LUM 001; SHP-625; SHP 625; SHP625; Lopixibat chloride
MSDS:
Inquire
Boiling Point:
419.2±40.0 °C at 760 mmHg
Density:
1.171 g/cm3
InChIKey:
POMVPJBWDDJCMP-RUKDTIIFSA-M
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
Canonical SMILES:
CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)C(C1O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C[N+]56CCN(CC5)CC6)CCCC.[Cl-]
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