CAS 439087-18-0

Elobixibat

Description:

Elobixibat is a chemical compound primarily recognized for its role as a selective inhibitor of the intestinal bile acid transporter, IBAT (SLC10A2). This inhibition leads to increased bile acid excretion and has been investigated for its potential therapeutic effects in treating conditions such as constipation-predominant irritable bowel syndrome (IBS-C) and chronic constipation. The compound is characterized by its specific molecular structure, which includes a unique arrangement of atoms that contributes to its biological activity. Elobixibat is typically administered orally and has been studied for its pharmacokinetics, including absorption, distribution, metabolism, and excretion. Its safety profile and efficacy have been evaluated in clinical trials, highlighting its potential benefits and side effects. As a pharmaceutical agent, Elobixibat represents a novel approach to managing gastrointestinal disorders by modulating bile acid dynamics in the gut.

Formula: C₃₆H₄₅N₃O₇S₂

InChI: InChI=1S/C36H45N3O7S2/c1-4-6-18-36(19-7-5-2)24-39(27-16-12-9-13-17-27)28-20-30(47-3)29(21-31(28)48(44,45)25-36)46-23-32(40)38-34(26-14-10-8-11-15-26)35(43)37-22-33(41)42/h8-17,20-21,34H,4-7,18-19,22-25H2,1-3H3,(H,37,43)(H,38,40)(H,41,42)/t34-/m1/s1

InChI key: InChIKey=XFLQIRAKKLNXRQ-UUWRZZSWSA-N

SMILES: O=S1(=O)C=2C(N(CC(CCCC)(CCCC)C1)C3=CC=CC=C3)=CC(SC)=C(OCC(N[C@@H](C(NCC(O)=O)=O)C4=CC=CC=C4)=O)C2

Synonyms:

• Glycine, (2R)-N-[[[3,3-dibutyl-2,3,4,5-tetrahydro-7-(methylthio)-1,1-dioxido-5-phenyl-1,5-benzothiazepin-8-yl]oxy]acetyl]-2-phenylglycyl-
• AZD 7806
• 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-
• Elobixibat
• (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-phenylglycylglycine

Elobixibat

CAS: 439087-18-0

Formula: C₃₆H₄₅N₃O₇S₂

Molecular weight: 695.89

Ref: 4Z-E-197001

Elobixibat

CAS: 439087-18-0

Elobixibat

Purity: ≥95%

Molecular weight: 695.89g/mol

Ref: 54-BUP04053

Elobixibat

Controlled Product

CAS: 439087-18-0

Formula: C₃₆H₄₅N₃O₇S₂

Color and Shape: Neat

Molecular weight: 695.888

Ref: TR-E505200

Elobixibat

CAS: 439087-18-0

Elobixibat is a drug that has been studied for its potential to treat cancer, chronic kidney disease and other diseases. It is a prodrug that is hydrolyzed in vivo to elobixibat acid, its active form. Elobixibat acid inhibits the sodium taurocholate co-transporting polypeptide (NTCP), which transports bile acids and sodium taurocholate into the small intestine. This inhibition leads to decreased bile acid levels and reduced symptoms of chronic kidney disease. Elobixibat acid also blocks the growth factor receptor tyrosine kinase c-Met, which can have therapeutic benefits for cancers such as colorectal cancer.

Formula: C₃₆H₄₅N₃O₇S₂

Purity: Min. 95%

Molecular weight: 695.9 g/mol

Ref: 3D-PSA08718

Elobixibat

CAS: 439087-18-0

Elobixibat (A 3309) blocks IBAT in mice/humans/dogs (IC50: 0.13/0.53/5.8 nM); used for constipation research.

Formula: C₃₆H₄₅N₃O₇S₂

Purity: 97.43% - 98.03%

Color and Shape: Solid

Molecular weight: 695.89

Ref: TM-T15209