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BAR 501

CAT: 0013-GTR19160470-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160470-01Size:200 mg
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Description
BAR-501 is a selective GPBAR1 agonist devoid of any FXR agonistic activity. BAR501 effectively reduced hepatic perfusion pressure and counteracted the vasoconstriction activity of norepinephrine. BAR501 rescues from endothelial dysfunction in rodent models of portal hypertension by exerting genomic and non-genomic effects on CSE, eNOS and ET-1 in liver sinusoidal cells.
CAS Number
1632118-69-4
Product Name Alternative
BAR-501 | BAR 501 | BAR501
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 50 mg/mL. 122.96 mM
Smiles
CC[C@H]1[C@@H]2C[C@@H] (CC[C@@]2 ([C@H]2CC[C@]3 ([C@H] ([C@@H]2[C@H]1O) CC[C@@H]3[C@H] (C) CCCO) C) C) O
Molecular Formula
C26H46O3
Molecular Weight
406.65
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(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

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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