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5mg |
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10mg |
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25mg |
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50mg |
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100mg |
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250mg |
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Purity: ≥98%
ML133 HCl, the hydrochloride salt of ML-133, is a novel, potent and selective inhibitor of the inward-rectifier potassium channel 2 (Kir2) identified from a high-throughput screening (HTS) of more than 300,000 small molecules. It inhibits Kir2.1 with an IC50 of 1.8 μM (at pH 7.4) and 290 nM (at pH 8.5), and shows no/little effect on Kir1.1, Kir4.1 and Kir7.1. The K(ir) inward rectifying potassium channels have a broad tissue distribution and are implicated in a variety of functional roles.
ln Vitro |
ML133 hydrochloride exhibits little selectivity for other Kir2.x family of channels, but it blocks Kir2.1 with an IC50 of 1.8 μM at pH 7.4 and 290 nM at pH 8.5 [1]. The hydrochloride ML133 demonstrates minimal efficacy against Kir1.1 (IC50 > 300 μM), Kir4.1 (76 μM), and Kir7.1 (33 μM) [1].
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ln Vivo |
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Animal Protocol |
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References |
[1]. Wang HR, et al. Selective inhibition of the K(ir)2 family of inward rectifier potassium channels by a small molecule probe: the discovery, SAR, and pharmacological characterization of ML133. ACS Chem Biol. 2011 Aug 19;6(8):845-56.
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Molecular Formula |
C19H19NO.HCL
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Molecular Weight |
313.82
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CAS # |
1222781-70-5
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Related CAS # |
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Appearance |
Typically exists as solids (or liquids in special cases) at room temperature
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SMILES |
COC1=CC=C(C=C1)CNCC2=CC=CC3=CC=CC=C32.Cl
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InChi Key |
NGQIBUUFXDPHKT-UHFFFAOYSA | |
Synonyms |
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
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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) |
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Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.63 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 20.8 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: ≥ 2.08 mg/mL (6.63 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 20.8 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: ≥ 2.08 mg/mL (6.63 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 | 3.1865 mL | 15.9327 mL | 31.8654 mL | |
5 mM | 0.6373 mL | 3.1865 mL | 6.3731 mL | |
10 mM | 0.3187 mL | 1.5933 mL | 3.1865 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.
Structural model of an inward rectifier potassium channel based on the Kir2.2 crystal structure, highlighting the tetrameric structure.ACS Chem Biol.2011 Aug 19;6(8):845-56. th> |
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Structures and activities of representative Kirsmall molecule inhibitors.ACS Chem Biol.2011 Aug 19;6(8):845-56. td> |
Characterization of a novel Kir2.1 inhibitor,ACS Chem Biol.2011 Aug 19;6(8):845-56. td> |
Design and chemical lead optimization strategy for CID17367817,11/ML133. A) diversity-oriented modular approach to survey three regions of11;ACS Chem Biol.2011 Aug 19;6(8):845-56. th> |
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Chimeric channels reveal critical domain(s) in Kir2.1 mediating ML133 inhibition.ACS Chem Biol.2011 Aug 19;6(8):845-56. td> |
Identification of the critical residuals for ML133 inhibition of Kir2.1.ACS Chem Biol.2011 Aug 19;6(8):845-56. td> |