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Purity: ≥98%
ML277 (formerly known as CID53347902) is a novel, potent and selective activator of the K(v)7.1 (KCNQ1) potassium channel with EC50 of 270 nM. It was identified from a high-throughput screen utilizing a depolarization-triggered thallium influx through KCNQ1 channels which was developed and used to screen the MLSMR collection of over 300,000 compounds. An iterative medicinal chemistry approach was initiated and from this effort, ML277 was identified as a potent activator of KCNQ1 channels (EC(50)=260 nM). ML277 was shown to be highly selective against other KCNQ channels (>100-fold selectivity versus KCNQ2 and KCNQ4) as well as against the distantly related hERG potassium channel.
| ln Vitro |
The amplitude of KCNQ1 single-channel and whole-cell currents is increased by ML277 (1 μM) [1].
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| References |
[1]. Eldstrom J, et al. ML277 regulates KCNQ1 single-channel amplitudes and kinetics, modified by voltage sensor state. J Gen Physiol. 2021 Dec 6;153(12):e202112969.
[2]. Mattmann ME, et al. Identification of (R)-N-(4-(4-methoxyphenyl)thiazol-2-yl)-1-tosylpiperidine-2-carboxamide, ML277, as a novel, potent and selective K(v)7.1 (KCNQ1) potassium channel activator. Bioorg Med Chem Lett. 2012 Sep 15;22(18):5936-41. |
| Molecular Formula |
C₂₃H₂₅N₃O₄S₂
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| Molecular Weight |
471.59
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| Exact Mass |
471.13
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| Elemental Analysis |
C, 58.58; H, 5.34; N, 8.91; O, 13.57; S, 13.60
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| CAS # |
1401242-74-7
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| Appearance |
Solid powder
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| SMILES |
O=C([C@@H]1N(S(=O)(C2=CC=C(C)C=C2)=O)CCCC1)NC3=NC(C4=CC=C(OC)C=C4)=CS3
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| Chemical Name |
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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 |
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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: ≥ 2.5 mg/mL (5.30 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1205 mL | 10.6024 mL | 21.2049 mL | |
| 5 mM | 0.4241 mL | 2.1205 mL | 4.2410 mL | |
| 10 mM | 0.2120 mL | 1.0602 mL | 2.1205 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.
Structure of the initial HTS hit.Bioorg Med Chem Lett.2012 Sep 15;22(18):5936-41. |
(a)p-TsCl orp-chlorophenylSO2Cl, TEA, DCM (R = CH3, 57–72%; R = Cl, 37 – 43%); (b) R1NH2, HATU, DIEA, DMF; (c) HATU, DIEA, DMF (R = CH3, 12–79%; R = Cl, 19–75%); (d) R2B(OH)2, K3PO4, Pd(OAc)2, THF:H2O, 80 °C. |
Literature reported activators of KNCQ1.Bioorg Med Chem Lett.2012 Sep 15;22(18):5936-41. |
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