1346233-68-8

1346233-68-8 - Names and Identifiers

Name	3,5-Dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]methyl]-benzamid
Synonyms	ML218 VU0413807 VU0424199-1 1346233-68-8 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]-benzamid 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
CAS	1346233-68-8

1346233-68-8 - Physico-chemical Properties

Molecular Formula	C19H26Cl2N2O
Molar Mass	369.33
Density	1.184±0.06 g/cm3(Predicted)
Boling Point	455.5±35.0 °C(Predicted)
Solubility	DMSO: soluble10mg/mL (clear solution)
Appearance	powder
Color	white to beige
pKa	13.65±0.46(Predicted)
Storage Condition	2-8°C
In vitro study	In plasma protein binding studies (equilibrium dialysis), ML218 possesses good free fraction in both rat and human. Intrinsic clearance experiments in liver microsomes indicated that ML218 is highly cleared in rat (CL int = 115 mL/min/kg), but low to moderately cleared in human liver microsomes (CL int = 12.7 mL/min/kg).
In vivo study	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. 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). 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 (t 1/2 = 7 h). Animal Model: Male Sprague-Dawley rats (275-299 g) induced by haloperidol 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.

1346233-68-8 - Risk and Safety

WGK Germany

1346233-68-8 - Preparation solution concentration reference

	1mg	5mg	10mg
1 mM	2.708 ml	13.538 ml	27.076 ml
5 mM	0.542 ml	2.708 ml	5.415 ml
10 mM	0.271 ml	1.354 ml	2.708 ml
5 mM	0.054 ml	0.271 ml	0.542 ml

Last Update：2024-01-02 23:10:35

1346233-68-8 - Introduction

3,5-dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]methyl]-benzamid is a chemical substance whose chemical name is N-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide. The following is a description of its nature, use, preparation and safety information:

Nature:
-3,5-dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]methyl]-benzamid is a white crystalline solid with a high melting point.
-It is stable at room temperature, but may decompose at high temperature or in contact with strong oxidants.
-Insoluble in water, but can be dissolved in some organic solvents.

Use:
-3,5-dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]methyl]-benzamid is a laboratory reagent developed by a supplier, which is currently widely used in academic research.
-It is often used as a chemical reagent in biological research, such as cell signaling and enzyme activity studies.

Preparation Method:
-3,5-dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-dimethylbutyl) the preparation of-3-azabicyclo[3.1.0]hex-6-yl]methyl]-benzamid can generally be obtained by chemical synthesis.
-The specific synthesis route may vary depending on the supplier and demand. The common method includes reacting the appropriate starting material under the appropriate reaction conditions, the target product is then obtained by purification and crystallization.

Safety Information:
-3,5-dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]methyl]-benzamid is generally relatively safe under correct use and storage conditions, but appropriate safety measures still need to be taken.
-Wear appropriate personal protective equipment such as laboratory glasses, lab gloves, and lab coats.
-Avoid inhalation, swallowing or skin contact. If you come into contact with the chemical, rinse the affected area immediately with plenty of water and seek medical advice immediately.
-3,5-dichloro-N-[[(1α,5α,6-exo,6α)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]methyl]-benzamid should be stored in a sealed container, away from high temperature, fire and oxidant.

Last Update：2024-04-09 19:05:02