Molecular Formula | C19H20ClNO |
Molar Mass | 313.83 |
Melting Point | 193-195°C |
Solubility | DMSO 63 mg/mL Water <1 mg/mL Ethanol 6 mg/mL |
Appearance | White to Brown Powder |
Color | white to tan |
Storage Condition | 2-8°C |
MDL | MFCD20921521 |
Use | ML133 hydrochloride is a selective inhibitor of the Kir2 family of inward rectifier (IRK, KCNJ) potassium channels. ML133 inhibits Kir2.1 with IC50 of 1.8 μM at pH 7.4 and 290 nM at pH8.5. It exhibits little selectivity against other members of Kir2. |
In vitro study | The ratio of total concentration of extracellular ML133 versus intracellular ML133 is 1:0.13 at pH 6.5, 1:9.09 at pH 8.5. ML133 is clean against 3A4 and 2C9 (IC50 >30 μM), displays moderate inhibition of 1A2 (IC50 = 3.3 μM) but proves to be a potent inhibitor of 2D6 (IC50 = 0.13 μM) in CYP450 assay. ML133 is highly protein bound (>99%) in both human and rat and also displays high intrinsic clearance in both species. ML133 (10 μM) is not displaced by K+ influx from the wild-type Kir2.1 in HEK 293 cells. M1 and/or M2 transmembrane domains contain the critical molecular determinant for ML133 inhibition of Kir2.1, especially D172 and I176. |
Risk Codes | R22 - Harmful if swallowed R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S39 - Wear eye / face protection. S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
UN IDs | UN 3077 9 / PGIII |
WGK Germany | 3 |
biological activity | ML133 HCl is a selective potassium channel inhibitor that acts on Kir2.1, IC50 is 1.8 μM (pH 7.4) and 290 nM (pH 8.5), has no effect on Kir1.1, and has weak activity on Kir4.1 and Kir7.1. |
in vitro study | the ratio of total concentration of extracellular ML133 versus intracellular ML133 is 1:0.13 at pH 6.5, 1:9.09 at pH 8.5. ML133 is clean against 3A4 and 2C9 (IC50 >30 μM), displays moderate inhibition of 1A2 (IC50=3.3 μ m) but solutions to be a potent inhibitor of 2D6 (IC50=0.13 μ m) in CYP450 say. ML133 is high protein bound (>99%) in both human and rat and also displays high intrinsic clearance in both species. ML133 (10 μ m) is not displaced by K + influx from the wild-type Kir2.1 in HEK 293 cells. m1. And/or M2 transmembrane domains contain the critical molecular determinant for ML133 inhibition of Kir2.1, especially D172 and I176. |
target | IC50: 1.8 μ m (k ir 2 at pH 7.4), 290 nm (k ir 2 at pH 8.5). |