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SB756050

CAT: 0804-HY-102016-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-102016-01Size: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 selective TGR5 agonist. SB756050 has the potential for type 2 diabetes treatment.
CAS Number
447410-57-3
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
G protein-coupled Bile Acid Receptor 1
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/SB756050.html
Purity
98.89
Solubility
DMSO : ≥ 150 mg/mL
Smiles
O=S(N1CCN(S(=O)(C2=CC=C(OC)C(OC)=C2)=O)CCC1)(C3=CC=C(OC)C(OC)=C3)=O
Molecular Formula
C21H28N2O8S2
Molecular Weight
500.59
Precautions
H315, H319, H335
References & Citations
[1]Hodge RJ, et al. Safety, Pharmacokinetics, and Pharmacodynamic Effects of a Selective TGR5 Agonist, SB-756050, in Type 2 Diabetes. Clin Pharmacol Drug Dev. 2013 Jul;2 (3) :213-22.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

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
BUP10145-01SB756050
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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