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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

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About This Item

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
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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

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.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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