[CAS NO. 439087-18-0] Elobixibat

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PRODUCTS SPECIFICATIONS [439087-18-0]

Catalog

AS985502

Brand

Arctom Scientific

CAS

439087-18-0

DESCRIPTION [439087-18-0]

Overview

MDL	-
Molecular Weight	695.89
Molecular Formula	C36H45N3O7S2
SMILES	O=C(O)CNC([C@@H](C1=CC=CC=C1)NC(COC2=C(SC)C=C(C3=C2)N(C4=CC=CC=C4)CC(CCCC)(CCCC)CS3(=O)=O)=O)=O

For research use only. We do not sell to patients.

Summary

Elobixibat is a potent ileal bile acid transporter (IBAT) inhibitor with IC ₅₀ values of 0.53 ± 0.17 nM, 0.13 ± 0.03 nM, and 5.8 ± 1.6 nM for human IBAT, mouse IBAT, and canine IBAT.

IC50 & Target

IC50: 0.53±0.17 nM (human IBAT), 0.13±0.03 nM (mouse IBAT), 5.8±1.6 nM (canine IBAT) ^[1] .

Clinical Trial

NCT Number	Sponsor	Condition	Start Date	Phase
NCT02392546	Ferring Pharmaceuticals	Chronic Idiopathic Constipation	April 2015	Phase 2
NCT01007123	Albireo	Constipation\|Chronic Constipation	November 2009	Phase 2
NCT01069783	Albireo	Dyslipidemia	February 2010	Phase 2
NCT04235205	Yokohama City University\|EA Pharma Co., Ltd.	Nonalcoholic Fatty Liver\|Nonalcoholic Steatohepatitis	January 29, 2020	Phase 2
NCT04006145	Albireo	NAFLD\|NASH	June 6, 2019	Phase 2
NCT01833065	Ferring Pharmaceuticals	Chronic Idiopathic Constipation	April 2013	Phase 3
NCT04784780	Yokohama City University	Chronic Constipation	August 6, 2021	Phase 4
NCT01827592	Ferring Pharmaceuticals	Chronic Idiopathic Constipation	April 2013	Phase 3
NCT01895543	Ferring Pharmaceuticals	Chronic Idiopathic Constipation	September 2013	Phase 3
NCT05165199	Yokohama City University	Chronic Constipation	March 1, 2022	Phase 4
NCT01038687	Michael Camilleri, MD\|National Center for Research Resources (NCRR)\|Mayo Clinic	Functional Constipation	January 2010	Phase 2

Appearance

Solid

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 250 mg/mL ( 359.25 mM ; Need ultrasonic)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	1.4370 mL	7.1850 mL	14.3701 mL
5 mM	0.2874 mL	1.4370 mL	2.8740 mL
10 mM	0.1437 mL	0.7185 mL	1.4370 mL

* Please refer to the solubility information to select the appropriate solvent.

In Vivo:

1.

Add each solvent one by one: 10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline

Solubility: ≥ 2.08 mg/mL (2.99 mM); Clear solution
2.

Add each solvent one by one: 10% DMSO >> 90% (20% SBE-β-CD in saline)

Solubility: 2.08 mg/mL (2.99 mM); Suspended solution; Need ultrasonic
3.

Add each solvent one by one: 10% DMSO >> 90% corn oil

Solubility: ≥ 2.08 mg/mL (2.99 mM); Clear solution

* All of the co-solvents are available by MCE.

References

[1] Wong BS, et al. Elobixibat for the treatment of constipation. Expert Opin Investig Drugs. 2013 Feb; 22(2):277-84.

Synonyms

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-

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-

(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

AZD 7806

A 3309

1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-(N-{(R)-1′-phenyl-1′-[N′-(t-butoxycarbonylmethyl)carbamoyl]methyl}carbamoylmethoxy)-2,3,4,5-tetrahydro-1,5-benzothiazepine