Odevixibat (A4250) is a potent selective ileal bile acid transporter (IBAT) inhibitor. Odevixibat (A4250) alleviates cholestatic liver and bile duct damage in mouse models. Odevixibat (A4250) can be used in the study of primary biliary cirrhosis.

 

Brand: BCM

 

pKa: 3.32±0.10(Predicted)

 

Solubility: Soluble in DMSO.

 

λmax: 223, 281 nm

 

Isomeric SMILES: CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)N1)OCC(=O)N[C@H](C3=CC=C(C=C3)O)C(=O)N[C@@H](CC)C(=O)O)SC)C4=CC=CC=C4)CCCC  

 

InChIKey: XULSCZPZVQIMFM-IPZQJPLYSA-N  

 

InChI: 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-,34+/m0/s1

 

Attribute
[Chem Name]	(2S)-2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1lambda6,2,5-benzothiadiazepin-8-yl)oxy]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]butanoic acid
[Synonym]	Odevixibat; A4250
[CAS No.]	501692-44-0
[MDL No.]	MFCD32710220
[Formula]	C37H48N4O8S2
[Molecular]	740.93
[Form]	Solid
[Storage]	-20°C

Goods Tag