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Linerixibat

CAT: 0013-GTR19163795-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163795-02Size:200 mg
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Description
A highly potent, selective, ileal apical sodium-dependent bile acid transporter (ASBT) inhibitor with IC50 of 2.1/1.9 nM for mouse/rat ASBT, respectively; lowers glucose in an animal model of type 2 diabetes, shows excellent developability properties for evaluating the potential therapeutic utility of a nonabsorbable ASBT inhibitor for treatment of patients with type 2 diabetes.Diabetes Phase 2 Clinical (In Vitro) :The zwitterionic, nonhygroscopic, crystalline salt form of Linerixibat (Compound 56) shows good aqueous solubility at pH 7.4 (>7 mg/mL), excellent thermal stability, and did not generate reactive or humanspecific metabolite, characteristics. (In Vivo) :Linerixibat (GSK2330672; 0.05-10 mg/kg; oral gavage; twice daily; for 14 days; male ZDF rat) treatment lowers glucose in an animal model of type 2 diabetes.
CAS Number
1345982-69-5
Product Name Alternative
GSK-2330672 | GSK2330672
Purity
>98% (HPLC)
Solubility
DMSO: 21.5 mg/mL (< 1 mg/ml refers to the product slightly soluble or insoluble)
Smiles
O=C (O) CC (NCC1=C (OC) C=C (C2=C1) [C@@H] (C3=CC=CC=C3) N[C@] (CC) (CCCC) CS2 (=O) =O) CC (O) =O
Molecular Formula
C28H38N2O7S
Molecular Weight
546.679
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
3-[[[ (3R,5R) -3-Butyl-3-ethyl-2,3,4,5-tetrahydro-7-methoxy-1,1-dioxido-5-phenyl-1,4-benzothiazepin-8-yl]methyl]amino]pentanedioic acid

Chemical Information

Linerixibat

Linerixibat is an ileal bile acid transporter (IBAT) inhibitor.

CAS Number1345982-69-5
PubChem CID53492727
IUPAC Name3-[[(3R,5R)-3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-4,5-dihydro-2H-1lambda6,4-benzothiazepin-8-yl]methylamino]pentanedioic acid
Molecular FormulaC28H38N2O7S
Molecular Weight546.7
XLogP-1.6
Topological Polar Surface Area150
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count38
Formal Charge0
Complexity870
SMILES
CCCC[C@@]1(CS(=O)(=O)C2=C(C=C(C(=C2)CNC(CC(=O)O)CC(=O)O)OC)[C@H](N1)C3=CC=CC=C3)CC
InChI
InChI=1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29-30H,4-6,12,14-15,17-18H2,1-3H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1
InChIKey
CZGVOBIGEBDYTP-VSGBNLITSA-N
Chemical Structure
2D Structure
2D structure of Linerixibat
CAS: 1345982-69-5
CID: 53492727
Formula: C28H38N2O7S
MW: 546.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight546.7
XLogP3-1.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass546.23997273
Monoisotopic Mass546.23997273
Topological Polar Surface Area150 Ų
Heavy Atom Count38
Formal Charge0
Complexity870
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C09404-5mgLinerixibat
A13875-1Linerixibat (GSK2330672) 1mg
A13875-2Linerixibat (GSK2330672) 2mg
A13875-100Linerixibat (GSK2330672) 100mg
A13875-50Linerixibat (GSK2330672) 50mg
A13875-25Linerixibat (GSK2330672) 25mg
A13875-10Linerixibat (GSK2330672) 10mg
A13875-5Linerixibat (GSK2330672) 5mg
A13875-10mM-DLinerixibat (GSK2330672) 10mM * 1mL in DMSO

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