Elobixibat

InvivoChem Cat #:V4279CAS #:439087-18-0 Purity >=98%

Description: Elobixibat (also known as AZD-7806, AJG-533 and A 3309) is a novel, potent and first-in-class ileal bile acid transporter (IBAT) inhibitor with IC50 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. It is potentially useful for treatment of chronic idiopathic constipation (CIC; syn functional constipation). CIC affects up to 25% of the general population; and up to a half are unsatisfied with current therapies. There is an unmet need for safe and effective drugs to treat CIC. Elobixibat provides a novel approach to treat chronic constipation via IBAT inhibition with enhanced delivery of bile acids to the colon. Pharmacodynamic studies show that it accelerates colonic transit, increases stool frequency, loosens stool consistency and relieves constipation-related symptoms in CIC patients. These beneficial effects are maintained for a minimum of 8 consecutive weeks of treatment. With minimal absorption and low systemic bioavailability, elobixibat is generally well tolerated and may offer the added benefit of improving serum lipid profiles through bile acid depletion.

Description:

References: Expert Opin Investig Drugs. 2013 Feb; 22(2):277-84.

References:

-20C for 3 years in powder form

Synonym: AZD-7806; AZD 7806; AZD7806; A 3309; A3309; A-3309; AJG-533
IUPAC/Chemical Name: (R)-(2-(2-((3, 3-dibutyl-7-(methylthio)-1, 1-dioxido-5-phenyl-2, 3, 4, 5-tetrahydrobenzo[b][1, 4]thiazepin-8-yl)oxy)acetamido)-2-phenylacetyl)glycine
InChi Key: XFLQIRAKKLNXRQ-UUWRZZSWSA-N
InChi Code: 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
SMILES Code: O=C(O)CNC([CH](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