SML3218

Odevixibat

≥98% (HPLC)

• Synonym(s): (2S)-2-[(2R)-2-(2-{[3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1λ6,2,5-benzothiadiazepin-8-yl]oxy}acetamido)-2-(4-hydroxyphenyl)acetamido]butanoic acid, (2S)-2-[[(2R)-2-[[2-[[3,3-Dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,2,5-benzothiadiazepin-8-yl]oxy]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]butanoic acid, A 4250, A-4250, A4250, AZD 8294, AZD-8294, AZD8294
• Empirical Formula (Hill Notation): C₃₇H₄₈N₄O₈S₂
• CAS Number: 501692-44-0
• Molecular Weight: 740.93
• UNSPSC Code: 12352200
• NACRES: NA.77
• MDL number: MFCD32710220
• Assay: ≥98% (HPLC)
• Form: powder

Properties

• Quality Segment: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: −20°C
• SMILES string: O=S1(C2=CC(OCC(N[C@H](C3=CC=C(C=C3)O)C(N[C@@H](CC)C(O)=O)=O)=O)=C(SC)C=C2N(C4=CC=CC=C4)CC(CCCC)(N1)CCCC)=O
• InChI: 1S/C37H48N4O8S2/c1-5-8-19-37(20-9-6-2)24-41(26-13-11-10-12-14-26)29-21-31(50-4)30(22-32(29)51(47,48)40-37)49-23-33(43)39-34(25-15-17-27(42)18-16-25)35(44)38-28(7-3)36(45)46/h10-18,21-22,28,34,40,42H,5-9,19-20,23-24H2,1-4H3,(H,38,44)(H,39,43)(H,45,46)/t28-
• InChI key: XULSCZPZVQIMFM-IPZQJPLYSA-N

Description

Biochem/physiol Actions

Odevixibat is an orally active, potent and selective ileal bile acid transporter (IBAT; ASBT; SLC10A2) inhibitor that improves cholestatic liver and bile duct injury in a mouse model of sclerosing cholangitis (0.01% w/w in diet).

Orally active apical sodium-dependent bile acid transporter/ASBT (ileal bile acid transporter/IBAT) inhibitor.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable