ChemicalBook--->CAS DataBase List--->439087-18-0

439087-18-0

439087-18-0 Structure

439087-18-0 Structure
IdentificationBack Directory
[Name]

Elobixibat
[CAS]

439087-18-0
[Synonyms]

A 3309
AJG-533)
AZD-7806
Elobixibat
Elobixibat (A-3309
Elobixibat (AZD-7806)
XFLQIRAKKLNXRQ-UUWRZZSWSA-N
L-Phencynonate Hydrochloride
Glycine, (2R)-N-[2-[[3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,5-benzothiazepin-8-yl]oxy]acetyl]-2-phenylglycyl-
[Molecular Formula]

C36H45N3O7S2
[MDL Number]

MFCD28386301
[MOL File]

439087-18-0.mol
[Molecular Weight]

695.89
Chemical PropertiesBack Directory
[Boiling point ]

969.6±65.0 °C(Predicted)
[density ]

1.31±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

Solid
[pka]

3.20±0.10(Predicted)
[color ]

White to off-white
[InChIKey]

XFLQIRAKKLNXRQ-UUWRZZSWSA-N
[SMILES]

C(O)(=O)CNC(=O)[C@@H](C1=CC=CC=C1)NC(COC1C=C2S(=O)(=O)CC(CCCC)(CCCC)CN(C3=CC=CC=C3)C2=CC=1SC)=O
Hazard InformationBack Directory
[Uses]

Elobixibat, is an ileal sodium-dependent bile acid transporter ( IBAT) inhibitor, used for the treatment of chronic constipation and irritable bowel syndrome with constipation (IBS-C).
[in vivo]

Elobixibat (0.27 mg/kg/day for 20 weeks, p.o.) inhibits tumor growth in the mouse model of fatty liver disease by inhibiting bile acid reabsorption and reducing total and primary bile acid levels in serum and liver[2].
Elobixibat (5 days a week for 4 weeks, 0.2, 0.6, or 1.2 mg/kg/day, gavage) improves NASH-related histopathology, reduces cytokine (TNF-α, IL-6, and TGF-β) expression, and normalizes gut microbiome composition in nonsteatohepatitis (NASH) mouse models[3].

Animal Model:Mouse Model of Nonalcoholic Steatohepatitis (three-week-old male C57BL/6J mice)[2]
Dosage:0.27 mg/kg/day for 20 weeks
Administration:p.o.
Result:Reduced the number and size of tumors.
Significantly reduced the number of Gram-positive bacteria in the phyla Firmicutes, Deferobacteria and Actinobacteria and increased the number of Proteobacteria.
[IC 50]

IBAT: 0.53 nM (IC50); IL-6; TNF-α; TNF-β
Spectrum DetailBack Directory
[Spectrum Detail]

Elobixibat(439087-18-0)1HNMR
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