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SB756050

CAT: 0013-GTR19170293-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170293-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SB756050 is a potent and selective agonist of the TGR5 (GPBAR1) receptor. This small molecule is a valuable research tool for investigating TGR5's role in metabolic regulation, inflammation, and energy homeostasis in both in vitro and in vivo experimental models.
CAS Number
447410-57-3
Product Name Alternative
Inhibitor, GPCR19, GPBAR1, G-protein coupled receptor 19, G protein-coupled Bile Acid Receptor 1, inhibit, SB 756050, SB756050, SB-756050, TGR5
Field of Research
Pharmacology & Drug Discovery
Purity
98.35% (May vary between batches)
Solubility
DMSO:55 mg/mL (109.87 mM)
Smiles
COc1ccc (cc1OC) S (=O) (=O) N1CCCN (CC1) S (=O) (=O) c1ccc (OC) c (OC) c1
Molecular Formula
C21H28N2O8S2
Molecular Weight
500.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sb-756050
CAS Number447410-57-3
PubChem CID1520267
IUPAC Name1,4-bis[(3,4-dimethoxyphenyl)sulfonyl]-1,4-diazepane
Molecular FormulaC21H28N2O8S2
Molecular Weight500.6
XLogP1.9
Topological Polar Surface Area128
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity758
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)OC
InChI
InChI=1S/C21H28N2O8S2/c1-28-18-8-6-16(14-20(18)30-3)32(24,25)22-10-5-11-23(13-12-22)33(26,27)17-7-9-19(29-2)21(15-17)31-4/h6-9,14-15H,5,10-13H2,1-4H3
InChIKey
GJUFPAZNBPFNRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sb-756050
CAS: 447410-57-3
CID: 1520267
Formula: C21H28N2O8S2
MW: 500.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.6
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass500.12870820
Monoisotopic Mass500.12870820
Topological Polar Surface Area128 Ų
Heavy Atom Count33
Formal Charge0
Complexity758
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-102016-01SB756050
A12759-50SB756050 50mg
A12759-25SB756050 25mg
A12759-5SB756050 5mg
A12759-10SB756050 10mg
A12759-100SB756050 100mg
A12759-10mM-DSB756050 10mM * 1mL in DMSO

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