WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 526986
CAS#: 211031-81-1 (HCl)
Description: L-796568, is a β3 adrenergic receptor agonist potentially for the treatment of obesity. L-796568 is a potent full beta(3) agonist (EC(50) = 3.6 nM, 94% activation) with >600-fold selectivity over the human beta(1) and beta(2) receptors, which also displays good oral bioavailability in several mammalian species, as well as an extended duration of action.
MedKoo Cat#: 526986
Name: L-796568 dihydrochloride
CAS#: 211031-81-1 (HCl)
Chemical Formula: C31H29Cl2F3N4O3S2
Molecular Weight: 697.6132
Elemental Analysis: C, 53.37; H, 4.19; Cl, 10.16; F, 8.17; N, 8.03; O, 6.88; S, 9.19
This product is not in stock, which may be available by custom synthesis.
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Synonym: L-796568; L 796568; L796568; L-796568 dihydrochloride.
IUPAC/Chemical Name: Benzenesulfonamide, N-(4-(2-(((2R)-2-hydroxy-2-(3-pyridinyl)ethyl)amino)ethyl)phenyl)-4-(4-(4-(trifluoromethyl)phenyl)-2-thiazolyl)-, dihydrochloride
InChi Key: CANSTXQBARAFMV-UJXPALLWSA-N
InChi Code: InChI=1S/C31H27F3N4O3S2.2ClH/c32-31(33,34)25-9-5-22(6-10-25)28-20-42-30(37-28)23-7-13-27(14-8-23)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24;;/h1-14,16,18,20,29,36,38-39H,15,17,19H2;2*1H/t29-;;/m0../s1
SMILES Code: O=S(C1=CC=C(C2=NC(C3=CC=C(C(F)(F)F)C=C3)=CS2)C=C1)(NC4=CC=C(CCNC[C@H](O)C5=CC=CN=C5)C=C4)=O.[H]Cl.[H]Cl
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
The following data is based on the product molecular weight 697.6132 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.
|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|
1: Dow RL, Paight ES, Schneider SR, Hadcock JR, Hargrove DM, Martin KA, Maurer TS, Nardone NA, Tess DA, DaSilva-Jardine P. Potent and selective, sulfamide-based human beta 3-adrenergic receptor agonists. Bioorg Med Chem Lett. 2004 Jun 21;14(12):3235-40. PubMed PMID: 15149682.
2: Bayes M, Rabasseda X, Prous JR. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2003 Nov;25(9):747-71. PubMed PMID: 14685303.
3: Larsen TM, Toubro S, van Baak MA, Gottesdiener KM, Larson P, Saris WH, Astrup A. Effect of a 28-d treatment with L-796568, a novel beta(3)-adrenergic receptor agonist, on energy expenditure and body composition in obese men. Am J Clin Nutr. 2002 Oct;76(4):780-8. PubMed PMID: 12324291.
4: van Baak MA, Hul GB, Toubro S, Astrup A, Gottesdiener KM, DeSmet M, Saris WH. Acute effect of L-796568, a novel beta 3-adrenergic receptor agonist, on energy expenditure in obese men. Clin Pharmacol Ther. 2002 Apr;71(4):272-9. PubMed PMID: 11956510.
5: Mathvink RJ, Tolman JS, Chitty D, Candelore MR, Cascieri MA, Colwell LF Jr, Deng L, Feeney WP, Forrest MJ, Hom GJ, MacIntyre DE, Miller RR, Stearns RA, Tota L, Wyvratt MJ, Fisher MH, Weber AE. Discovery of a potent, orally bioavailable beta(3) adrenergic receptor agonist, (R)-N-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]-4-[4 -[4-(trifluoromethyl)phenyl]thiazol-2-yl]benzenesulfonamide. J Med Chem. 2000 Oct 19;43(21):3832-6. PubMed PMID: 11052788.
211031-81-1 (L-796568 dihydrochloride)
211031-01-5 (L-796568 Free base)