| Identification | Back Directory | [Name]
3,5-Dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-diMethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]Methyl]-benzaMide | [CAS]
1346233-68-8 | [Synonyms]
ML218
VU0413807
VU0424199-1
CID 45115620
ML 218 hydrochloride
Benzamide, 3,5-dichloro-N-[[(1α,5α,6α)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]methyl]-
3,5-Dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-diMethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]Methyl]-benzaMide
3,5-Dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]methyl]-benzamide hydrochloride | [Molecular Formula]
C19H26Cl2N2O | [MDL Number]
MFCD23704169 | [MOL File]
1346233-68-8.mol | [Molecular Weight]
369.33 |
| Chemical Properties | Back Directory | [Boiling point ]
455.5±35.0 °C(Predicted) | [density ]
1.184±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMSO: soluble10mg/mL (clear solution) | [form ]
powder | [pka]
13.65±0.46(Predicted) | [color ]
white to beige | [InChI]
1S/C19H26Cl2N2O/c1-19(2,3)4-5-23-10-16-15(17(16)11-23)9-22-18(24)12-6-13(20)8-14(21)7-12/h6-8,15-17H,4-5,9-11H2,1-3H3,(H,22,24)/t15-,16-,17+ | [InChIKey]
GSJIGYLGKSBYBC-OSYLJGHBSA-N | [SMILES]
CC(C)(C)CCN1C[C@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 |
| Hazard Information | Back Directory | [Uses]
This compound, referred to as ML218, is a centrally active calcium channel inhibitor with potential applications to treatment of pain, epilepsy and neurological disorders through further study. | [Definition]
ChEBI: 3,5-dichloro-N-[[(1S,5R)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide is an organohalogen compound and a carbonyl compound. | [Biological Activity]
ML218 (CID 45115620) is a potent and selective T-Type (Cav3.1Cav3.2Cav3.3) calcium channel inhibitor (Cav3.2IC50 = 150 nM in Ca2+ flux; Cav3.2 IC50 = 310 nM and Cav3.3 IC50 = 270 nM with good Drug metabolism/Pharmacokinetics. In a panel of 68 GPCRsion channels and transportersML218 was found to bind significantly only two other targets (sodium channel site 2 and sigma 1) and had no significant inhibition of L- or N-type calcium channelsKATP or hERG potassium channels. It showed robust inhibition of calcium current in STN neurons and was orally active in a rodent model of Parkinson′s Disease. | [in vivo]
ML218 (0.03-30 mg/kg; oral administration; once; male Sprague-Dawley rats) treatment reverses cataleptic behavior in rats induced by a 0.75 mg/kg dose of haloperidol[1].
Free brain and plasma concentrations of ML218 increases in a dose proportional manner across the dose range (3 mg/kg: [plasma] = 98 nM, [brain] = 1.66 μM; 10 mg/kg: [plasma] = 282 nM, [brain] = 5.03 μM; 30 mg/kg: 1.2 μM, [brain] = 17.7 μM)[1].
Noncompartmental pharmacokinetic analysis indicates ML218 (1 mg/kg, IV) has a mean residence time (MRT) of nearly 7 h, a value which is consistent with its terminal half-life (t1/2 = 7 h)[1]. | Animal Model: | Male Sprague-Dawley rats (275-299 g) induced by haloperidol[1] | | Dosage: | 0.03 mg/kg, 0.1 mg/kg, 0.3 mg/kg, 1 mg/kg, 3 mg/kg, 10 mg/kg, 30 mg/kg | | Administration: | Oral administration; once | | Result: | Reversed cataleptic behavior in rats induced by a 0.75 mg/kg dose of haloperidol.
|
| [IC 50]
T-type calcium channel |
|
| Company Name: |
BOC Sciences
|
| Tel: |
|
| Website: |
https://www.bocsci.com |
| Company Name: |
Energy Chemical
|
| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
cjbscvictory
|
| Tel: |
13348960310 13348960310; |
| Website: |
https://www.weikeqi-biotech.com/ |
|