ChemicalBook > CAS DataBase List > 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

Product 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 No.
1346233-68-8
Chemical Name
3,5-Dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-diMethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]Methyl]-benzaMide
Synonyms
ML218;T12076L;VU0413807;VU0424199-1;CID 45115620;ML218,ML-218;ML 218 hydrochloride;Benzamide, 3,5-dichloro-N-[[(1α,5α,6α)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]methyl]-;rel-3,5-Dichloro-N-(((1R,5S,6s)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-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
CBNumber
CB52695162
Molecular Formula
C19H26Cl2N2O
Formula Weight
369.33
MOL File
1346233-68-8.mol
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3,5-Dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-diMethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]Methyl]-benzaMide Property

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)
pka
13.65±0.46(Predicted)
form 
powder
color 
white to beige
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Safety

WGK Germany 
3
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
SML0385
Product name
ML218
Purity
≥98% (HPLC)
Packaging
5mg
Price
$138
Updated
2025/07/31
Sigma-Aldrich
Product number
SML0385
Product name
ML218
Purity
≥98% (HPLC)
Packaging
25mg
Price
$560
Updated
2022/05/15
Tocris
Product number
4507
Product name
ML218hydrochloride
Purity
≥99%(HPLC)
Packaging
10
Price
$227
Updated
2021/12/16
Tocris
Product number
4507
Product name
ML218hydrochloride
Purity
≥99%(HPLC)
Packaging
50
Price
$952
Updated
2021/12/16
Usbiological
Product number
255854
Product name
ML 218 hydrochloride
Packaging
10mg
Price
$480
Updated
2021/12/16
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3,5-Dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-diMethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]Methyl]-benzaMide Chemical Properties,Usage,Production

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 (Cav3.1, Cav3.2, Cav3.3) calcium channel inhibitor (Cav3.2, IC50 = 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 GPCRs, ion channels and transporters, ML218 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 channels, KATP 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

3,5-Dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-diMethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]Methyl]-benzaMide Preparation Products And Raw materials

Raw materials

Preparation Products

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3,5-Dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-diMethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]Methyl]-benzaMide Suppliers

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1346233-68-8, 3,5-Dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-diMethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]Methyl]-benzaMideRelated Search:


  • 3,5-Dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-diMethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]Methyl]-benzaMide
  • CID 45115620
  • ML218
  • VU0413807
  • VU0424199-1
  • ML 218 hydrochloride
  • 3,5-Dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]methyl]-benzamide hydrochloride
  • Benzamide, 3,5-dichloro-N-[[(1α,5α,6α)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]methyl]-
  • ML218,ML-218
  • T12076L
  • rel-3,5-Dichloro-N-(((1R,5S,6s)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl)methyl)benzamide
  • 1346233-68-8
  • Aromatics, Inhibitors, Pharmaceuticals, Intermediates & Fine Chemicals