MedKoo Cat#: 528518 | Name: SB-756050
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

SB-756050 is a G protein-coupled bile acid receptor 1 (GPBAR1) agonist potentially for the treatment of type 2 diabetes.

Chemical Structure

SB-756050
SB-756050
CAS#447410-57-3

Theoretical Analysis

MedKoo Cat#: 528518

Name: SB-756050

CAS#: 447410-57-3

Chemical Formula: C21H28N2O8S2

Exact Mass: 500.1287

Molecular Weight: 500.58

Elemental Analysis: C, 50.39; H, 5.64; N, 5.60; O, 25.57; S, 12.81

Price and Availability

Size Price Availability Quantity
100mg USD 450.00
250mg USD 900.00
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Related CAS #
No Data
Synonym
SB-756050; SB 756050; SB756050
IUPAC/Chemical Name
1,4-bis((3,4-dimethoxyphenyl)sulfonyl)-1,4-diazepane
InChi Key
GJUFPAZNBPFNRI-UHFFFAOYSA-N
InChi Code
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
SMILES Code
O=S(N1CCN(S(=O)(C2=CC=C(OC)C(OC)=C2)=O)CCC1)(C3=CC=C(OC)C(OC)=C3)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Product Data
Biological target:
SB-756050 is an agonist of TGR5 (EC50 = 1.3 μM for the human receptor). It is selective for TGR5 over the farnesoid X receptor (FXR) and a panel of other receptors, channels, and transporters.
In vitro activity:
To be determined
In vivo activity:
In a type 2 diabetes clinical trial, SB-756050 was well-tolerated. It was readily absorbed, exhibited nonlinear pharmacokinetics with a less than dose-proportional increase in plasma exposure above 100 mg, and demonstrated no significant changes in exposure when co-administered with sitagliptin. The glucose effects of SB-756050 + sitagliptin were comparable to those of sitagliptin alone,despite differences in gut hormone plasma profiles. Reference: Clin Pharmacol Drug Dev. 2013 Jul;2(3):213-22. https://pubmed.ncbi.nlm.nih.gov/27121782/
Solvent mg/mL mM
Solubility
DMF 10.0 19.98
DMSO 10.0 19.98
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 500.58 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
1. Hodge RJ, Lin J, Vasist Johnson LS, Gould EP, Bowers GD, Nunez DJ; SB-756050 Project Team. 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. doi: 10.1002/cpdd.34. Epub 2013 May 14. PMID: 27121782.
In vitro protocol:
To be determined
In vivo protocol:
1. Hodge RJ, Lin J, Vasist Johnson LS, Gould EP, Bowers GD, Nunez DJ; SB-756050 Project Team. 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. doi: 10.1002/cpdd.34. Epub 2013 May 14. PMID: 27121782.
1: Hodge RJ, Lin J, Vasist Johnson LS, Gould EP, Bowers GD, Nunez DJ; SB-756050 Project Team.. 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. doi: 10.1002/cpdd.34. Epub 2013 May 14. PubMed PMID: 27121782.