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Applications
Ligand-gated ion channels
Methyllycaconitine citrate (MLA) - ≥98%, high purity , CAS No.21019-30-7, Antagonist of nicotinic acetylcholine receptor α10 subunit;Antagonist of nicotinic acetylcholine receptor α7 subunit;Antagonist of nicotinic acetylcholine receptor α9 subunit
Methyllycaconitine citrate (MLA) - ≥98%, high purity , CAS No.21019-30-7, Antagonist of nicotinic acetylcholine receptor α10 subunit;Antagonist of nicotinic acetylcholine receptor α7 subunit;Antagonist of nicotinic acetylcholine receptor α9 subunit
α7 Nicotinic receptor antagonist. 1 ml water soluble pack.
Basic Description
Synonyms
[1α,4(S),6β,14α,16β]-20-Ethyl-1,6,14,16-tetramethoxy-4-[[[2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]aconitane-7,8-diolcitrate
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Potent, selective antagonist at α7-containing nicotinic receptors. Soluble in 1 ml water to give specified mM/ml concentration.
Storage Temp
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
ANTAGONIST
Mechanism of action
Antagonist of nicotinic acetylcholine receptor α10 subunit;Antagonist of nicotinic acetylcholine receptor α7 subunit;Antagonist of nicotinic acetylcholine receptor α9 subunit
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description
Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Aconitane-type diterpenoid alkaloids
Alternative Parents
Acylaminobenzoic acid and derivatives Phenylpyrrolidines Quinolidines Benzoic acid esters Alkaloids and derivatives Benzoyl derivatives Azepanes Pyrrolidine-2-ones Piperidines N-substituted carboxylic acid imides Tertiary alcohols Pyrroles Dicarboximides Trialkylamines Cyclic alcohols and derivatives Carboxylic acid esters 1,2-diols Amino acids and derivatives 1,2-aminoalcohols Lactams Dialkyl ethers Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aconitane-type diterpenoid alkaloid - Acylaminobenzoic acid or derivatives - 1-phenylpyrrolidine - Benzoate ester - Quinolidine - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Azepane - Piperidine - Pyrrolidone - 2-pyrrolidone - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - Tertiary alcohol - Cyclic alcohol - Pyrrolidine - Carboxylic acid imide - Dicarboximide - Pyrrole - 1,2-aminoalcohol - Carboxylic acid ester - 1,2-diol - Amino acid or derivatives - Lactam - Tertiary aliphatic amine - Tertiary amine - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Dialkyl ether - Azacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom.
External Descriptors
diterpenoid
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
INCHI
InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37+/m0/s1
InChIKey
XLTANAWLDBYGFU-VTLKBQQISA-N
Smiles
CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C
Isomeric SMILES
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C
MeSH Entry Terms
methyllycaconitine;methyllycaconitine hydrochloride;methyllycaconitine hydroiodide
Molecular Weight
874.92
Reaxy-Rn
24710001
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24710001&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in 1 ml water to give specified mM/ml concentration
Molecular Weight
682.800 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
11
Rotatable Bond Count
10
Exact Mass
682.347 Da
Monoisotopic Mass
682.347 Da
Topological Polar Surface Area
144.000 Ų
Heavy Atom Count
49
Formal Charge
0
Complexity
1380.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
14
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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