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Methysergide maleate - 10mM in DMSO, high purity , CAS No.129-49-7
Basic Description
Synonyms
Methysergide maleate | 129-49-7 | Deseril-retard | Desernil bismaleate | Methysergide maleate salt | Methysergide bimaleate | Methysergide hydrogen maleate | EINECS 204-950-9 | NSC 186061 | UNII-2U7H1466GH | 2U7H1466GH | 1-Methyl-D-lysergic acid butanolamide dimaleate | NSC-7591
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
5-HT receptor antagonist (K i values are 10 and 2.5 nM at 5-HT 2A and 5-HT 2C receptors, respectively). Displays antimigraine activity.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Store at Room Temperature. The product can be stored for up to 12 months.
Application：
Methysergide Maleate acts as a serotonin antagonist with potential application antidepression medication. It is a 5-HT antagonist.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Ergoline and derivatives
Subclass
Lysergic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Lysergamides
Alternative Parents
Indoloquinolines Benzoquinolines Quinoline-3-carboxamides Pyrroloquinolines N-alkylindoles 3-alkylindoles Isoindoles and derivatives Aralkylamines N-methylpyrroles Unsaturated fatty acids Dicarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Not available
Substituents
Lysergic acid amide - Indoloquinoline - Benzoquinoline - Pyrroloquinoline - Quinoline-3-carboxamide - N-alkylindole - Quinoline - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Aralkylamine - Fatty acyl - Benzenoid - Fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Substituted pyrrole - N-methylpyrrole - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Amine - Alcohol - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as lysergamides. These are amides of Lysergic acids.
External Descriptors
Not available
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
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid
INCHI
InChI=1S/C21H27N3O2.C4H4O4/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14;5-3(6)1-2-4(7)8/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15+,19-;/m1./s1
InChIKey
LWYXFDXUMVEZKS-ZVFOLQIPSA-N
Smiles
CCC(CO)NC(=O)C1CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C.C(=CC(=O)O)C(=O)O
Isomeric SMILES
CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C.C(=C\C(=O)O)\C(=O)O
PubChem CID
5281073
Molecular Weight
469.53
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
469.500 g/mol
XLogP3
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
6
Exact Mass
469.221 Da
Monoisotopic Mass
469.221 Da
Topological Polar Surface Area
132.000 Ų
Heavy Atom Count
34
Formal Charge
0
Complexity
697.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
3
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
2
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