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BAR501

CAT: 0013-GTR19169166-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169166-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BAR501 is a potent and selective agonist for the GPBAR1 receptor, exhibiting an EC50 of 1 μM. This small molecule is a valuable research tool for investigating GPBAR1's role in metabolic and inflammatory pathways, applicable in both in vitro and in vivo experimental models.
CAS Number
1632118-69-4
Product Name Alternative
BAR 501, BAR501, BAR-501, G-protein coupled receptor 19, G protein-coupled Bile Acid Receptor 1, GPBAR1, GPCR19, inhibit, Inhibitor, TGR5
Field of Research
Pharmacology & Drug Discovery
Purity
99.29% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.92 mM) ; DMSO:50 mg/mL (122.96 mM)
Smiles
CC[C@@H]1[C@H] (O) [C@H]2[C@@H]3CC[C@H] ([C@H] (C) CCCO) [C@@]3 (C) CC[C@@H]2[C@@]2 (C) CC[C@@H] (O) C[C@@H]12
Molecular Formula
C26H46O3
Molecular Weight
406.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3R,5S,6S,7S,8S,9S,10S,13R,14S,17R)-6-ethyl-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
CAS Number1632118-69-4
PubChem CID101886302
IUPAC Name(3R,5S,6S,7S,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Molecular FormulaC26H46O3
Molecular Weight406.6
XLogP5.9
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity578
SMILES
CC[C@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@H]1O)CC[C@@H]4[C@H](C)CCCO)C)C)O
InChI
InChI=1S/C26H46O3/c1-5-18-22-15-17(28)10-12-26(22,4)21-11-13-25(3)19(16(2)7-6-14-27)8-9-20(25)23(21)24(18)29/h16-24,27-29H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,22+,23+,24+,25-,26-/m1/s1
InChIKey
DQBAHTQWQZRMFH-CRPAWOMZSA-N
Chemical Structure
2D Structure
2D structure of (3R,5S,6S,7S,8S,9S,10S,13R,14S,17R)-6-ethyl-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
CAS: 1632118-69-4
CID: 101886302
Formula: C26H46O3
MW: 406.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.6
XLogP35.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass406.34469533
Monoisotopic Mass406.34469533
Topological Polar Surface Area60.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity578
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C06962-25mgBAR501
A20429-25BAR501 25mg
A20429-5BAR501 5mg
A20429-1BAR501 1mg
A20429-10BAR501 10mg
A20429-50BAR501 50mg
A20429-10mM-DBAR501 10mM * 1mL in DMSO
HY-101274A-01(3α,5β,6β,7α) -BAR501

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