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ML218

CAT: 0804-HY-103309-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-103309-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML218 is a potent, selective and orally active T-type Ca2+ channels (Cav3.1, Cav3.2, Cav3.3) inhibitor with IC50s of 310 nM and 270 nM for Cav3.2 and Cav3.3, respectively. ML218 inhibits the burst activity in subthalamic nucleus (STN) neurons. ML218 has no significant inhibition of L- or N-type calcium channels, KATP or hERG potassium channels. ML218 can penetrate the blood-brain barrier[1].
CAS Number
1346233-68-8
UNSPSC
12352005
Hazard Statement
H319
Target
Calcium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ML218.html
Concentration
10mM
Purity
99.49
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(NC[C@@H]1[C@@]2([H])CN(CCC(C)(C)C)C[C@@]12[H])C3=CC(Cl)=CC(Cl)=C3
Molecular Formula
C19H26Cl2N2O
Molecular Weight
369.33
Precautions
H319
References & Citations
[1]Xiang Z, et al. The Discovery and Characterization of ML218: A Novel, Centrally Active T-Type Calcium Channel Inhibitor with Robust Effects in STN Neurons and in a Rodent Model of Parkinson's Disease. ACS Chem Neurosci. 2011 Dec 21;2 (12) :730-742.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
T-type calcium channel

Chemical Information

3,5-dichloro-N-[[(1R,5S)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide

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.

CAS Number1346233-68-8
PubChem CID45115620
IUPAC Name3,5-dichloro-N-[[(1R,5S)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
Molecular FormulaC19H26Cl2N2O
Molecular Weight369.3
XLogP4.9
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity443
SMILES
CC(C)(C)CCN1C[C@@H]2[C@H](C1)C2CNC(=O)C3=CC(=CC(=C3)Cl)Cl
InChI
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-ALOPSCKCSA-N
Chemical Structure
2D Structure
2D structure of 3,5-dichloro-N-[[(1R,5S)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
CAS: 1346233-68-8
CID: 45115620
Formula: C19H26Cl2N2O
MW: 369.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.3
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass368.1422188
Monoisotopic Mass368.1422188
Topological Polar Surface Area32.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity443
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T12076L-01ML218
T12076-01ML218 hydrochloride
A19355-100ML218 100mg
A19355-50ML218 50mg
532192ML218 HCl
A19355-10ML218 10mg
A19355-5ML218 5mg
A19355-10mM-DML218 10mM * 1mL in DMSO

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