CAS 489402-47-3|ML213
Introduction：Basic information about CAS 489402-47-3|ML213, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | ML213 | ||
|---|---|---|---|
| CAS Number | 489402-47-3 | Molecular Weight | 257.371 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 398.8±11.0 °C at 760 mmHg |
| Molecular Formula | C17H23NO | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | 243.4±4.2 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-3-carboxamide |
|---|---|
| Synonym | More Synonyms |
ML213 BiologicalActivity
| Description | ML213 is a selective activator of Kv7.2 and Kv7.4 channels, enhances Kv7.2 and Kv7.4 channels with EC50s of 230 and 510 nM, respectively. |
|---|---|
| Related Catalog | Signaling Pathways >>Membrane Transporter/Ion Channel >>Potassium ChannelResearch Areas >>Neurological Disease |
| Target | EC50: 230 nM (Kv7.2 channel), 510 nM (Kv7.4 channel)[2][3] |
| In Vitro | ML213 (100 nM-30 µM) increases maximal conductance to a peak at 212% ± 27% of control, with an EC50 of 0.8 ± 0.3 µM. ML213 (10 µM) reduces the deactivation rates of Kv7.4 currents by 4.6-fold in the voltage range from −130 mV to −90 mV. ML213 is a potent and effective activator of homomeric Kv7.5 channels overexpressed in A7r5 cells. ML213 increases maximal conductance of Kv7.5 channels with an EC50 of 0.7 ± 0.2 µM. ML213 (10 µM) also reduces deactivation rates of Kv7.5 currents by 5.9-fold on average. ML213 produces similar effects on heteromeric Kv7.4/7.5 channels: 204% ± 11% maximal increase in conductance with an EC50 of 1.1 ± 0.6 µM and a 34.2 ± 3.3 mV maximal negative shift of the activation curve, with an EC50 of 3.8 ± 1.2 µM[1]. ML213 causes a vasorelaxation in different precontracted rat blood vessels. ML213 (10 μM) also hyperpolarizes mesenteric artery smooth muscle cells[2]. ML213 causes a concentration-dependent shift in the V1/2 for KCNQ2 activation with an EC50 340 ± 70 nM and a maximal shift of 37.4 mV[3]. |
| References | [1]. Brueggemann LI, et al. Differential activation of vascular smooth muscle Kv7.4, Kv7.5, and Kv7.4/7.5 channels by ML213 and ICA-069673. Mol Pharmacol. 2014 Sep;86(3):330-41. [2]. Jepps TA, et al. Vasorelaxant effects of novel Kv 7.4 channel enhancers ML213 and NS15370. Br J Pharmacol. 2014 Oct;171(19):4413-24. [3]. Yu H, et al. Discovery, Synthesis, and Structure Activity Relationship of a Series of N-Aryl- bicyclo[2.2.1]heptane-2-carboxamides: Characterization of ML213 as a Novel KCNQ2 and KCNQ4 Potassium Channel Opener. ACS Chem Neurosci. 2011 Oct 19;2(10):572-577. |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 398.8±11.0 °C at 760 mmHg |
| Molecular Formula | C17H23NO |
| Molecular Weight | 257.371 |
| Flash Point | 243.4±4.2 °C |
| Exact Mass | 257.177979 |
| PSA | 32.59000 |
| LogP | 4.38 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.591 |
| InChIKey | SIQGKPGBLYKQBB-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)c(NC(=O)C2CC3CCC2C3)c(C)c1 |
| Storage condition | 2-8℃ |
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335-H413 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| RIDADR | NONH for all modes of transport |
Synonyms
| Bicyclo[2.2.1]heptane-2-carboxamide, N-(2,4,6-trimethylphenyl)- |
| N-Mesitylbicyclo[2.2.1]heptane-2-carboxamide |
| ML-213 |
| CID-3111211 |
| ML213 |
