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Pergolide mesylate

CAT: 0013-GTR19172842-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19172842-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pergolide mesylate is a long-acting dopamine D1/D2 receptor agonist historically used in Parkinson's disease and hyperprolactinemia research. Its investigation in both in vivo and in vitro models has been important for studying dopaminergic pathways, though clinical use was limited due to associated cardiac valvulopathy risks.
CAS Number
66104-23-2
Product Name Alternative
D2-receptor, D1-receptors, DopamineReceptor, Dopamine Receptor, Dopamine, 5-HT receptor, Adrenergic receptor, Adrenergic Receptor, AdrenergicReceptor, 5HT Receptor, 5HTReceptor, ergoline, MDA, hyperprolactinaemia, LY 127809, LY127809, LY-127809, Parkinson's, Pergolide methanesulfonate, Pergolide, Pergolide mesylate salt
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.09% (May vary between batches)
Solubility
DMSO:55 mg/mL (133.95 mM) ; H2O:40 mg/mL (97.42 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.87 mM)
Smiles
CS (O) (=O) =O.CCCN1C[C@H] (CSC) C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Molecular Formula
C20H30N2O3S2
Molecular Weight
410.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pergolide Mesylate

Pergolide mesylate is a methanesulfonate salt obtained from pergolide by mixing eqimolar amount of pergolide and methanesulfonic acid. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction. It has a role as a geroprotector, an antiparkinson drug and a dopamine agonist. It contains a pergolide(1+).

CAS Number66104-23-2
PubChem CID47812
IUPAC Name(6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid
Molecular FormulaC20H30N2O3S2
Molecular Weight410.6
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity480
SMILES
CCCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC.CS(=O)(=O)O
InChI
InChI=1S/C19H26N2S.CH4O3S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21;1-5(2,3)4/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3;1H3,(H,2,3,4)/t13-,16-,18-;/m1./s1
InChIKey
UWCVGPLTGZWHGS-ZORIOUSZSA-N
Chemical Structure
2D Structure
2D structure of Pergolide Mesylate
CAS: 66104-23-2
CID: 47812
Formula: C20H30N2O3S2
MW: 410.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass410.16978517
Monoisotopic Mass410.16978517
Topological Polar Surface Area107 Ų
Heavy Atom Count27
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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