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25mg |
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Purity: ≥98%
BMS-816336 is a potent and orally bioactive inhibitor of human 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) enzyme with an IC50 of 3.0 nM. BMS-816336 showed activity against human 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) enzyme (IC50 3.0 nM) with >10000 fold selectivity over human 11β-hydroxysteroid dehydrogenase type 2 (11β-HSD2). BMS-816336 exhibits a robust acute pharmacodynamic effects in cynomolgus monkeys (ED50 0.13 mpk) and in DIO mice. BMS-816336 was found to be well-tolerated in Phase 1 clinical studies and represents a potential new treatment for type 2 diabetes, metabolic syndrome, and other human diseases modulated by glucocorticoid control.
ln Vitro |
In addition to its possible clinical applications in the treatment of type II diabetes, 11β-HSD1 inhibition may also be beneficial in the prevention of atherosclerosis and cognitive decline. In HEK and 3T3L1 cells, BMS-816336 (6n-2) inhibits the 11β-HSD1 enzyme with IC50 values of 37.3 and 28.6 nM, respectively [1].
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ln Vivo |
BMS-816336 is a possible novel medication for metabolic syndrome, type 2 diabetes, and other glucocorticoid-regulated human disorders. In DIO mice (1, 3, 10, 30, 100 mg/kg, 120 minutes) and cynomolgus monkeys (ED50=0.12 mg/kg), BMS-816336 (6n-2) demonstrates strong acute pharmacodynamic effects. Its oral bioavailability ranges from 20% to 72% in preclinical species. Its expected pharmacokinetic properties in humans include a short half-life and a peak to trough ratio [1].
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Animal Protocol |
Animal/Disease Models: non-fasting diet-induced obese male mice [1]
Doses: 1, 3, 10, 30, 100 mg/kg Route of Administration: po (po (oral gavage)) 120 minutes Experimental Results: ED50=8.6 mg/kg, plasma EC50 is 0.85 μM model [1]. |
References |
[1]. Ye XY, et al. Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11β-Hydroxysteroid Dehydrogenase Type 1 Inhibitor. J Med Chem. 2017 Jun 22;60(12):4932-4948.
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Molecular Formula |
C21H27NO3
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Molecular Weight |
341.443986177444
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CAS # |
1009583-20-3
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Related CAS # |
(Rac)-BMS-816336;(R)-BMS-816336;1009583-83-8
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Appearance |
Typically exists as solids (or liquids in special cases) at room temperature
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SMILES |
OC1CN(C(C[C@]2(C3=CC=CC=C3)[C@H]4C[C@@H]5[C@@H](O)C(C4)C[C@H]2C5)=O)C1
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InChi Key |
OAAZMUGLOXGVNH-MEMOLBONSA-N, OAAZMUGLOXGVNH-CCVYDFRESA-N
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InChi Code |
InChI=1S/C21H27NO3/c23-18-11-22(12-18)19(24)10-21(15-4-2-1-3-5-15)16-6-13-7-17(21)9-14(8-16)20(13)25/h1-5,13-14,16-18,20,23,25H,6-12H2/t13-,14?,16-,17+,20-,21-/m1/s1
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Chemical Name |
2-((1R,2R,3S,5R,6R)-6-hydroxy-2-phenyladamantan-2-yl)-1-(3-hydroxyazetidin-1-yl)ethan-1-one
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Synonyms |
BMS-816336; BMS 816336; BMS816336.
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HS Tariff Code |
2934.99.9001
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Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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Solubility (In Vitro) |
DMSO : ~300 mg/mL (~878.63 mM)
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Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 7.5 mg/mL (21.97 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 75.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 7.5 mg/mL (21.97 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 75.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 7.5 mg/mL (21.97 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 2.9288 mL | 14.6439 mL | 29.2877 mL | |
5 mM | 0.5858 mL | 2.9288 mL | 5.8575 mL | |
10 mM | 0.2929 mL | 1.4644 mL | 2.9288 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration: mg/mL;
Method for preparing DMSO stock solution: mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation::Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.