Pergolide mesylate - ≥99% , Dopamine receptor agonist, CAS No.66104-23-2, Dopamine receptor agonist

CAS: 66104-23-2 Cat. No.: P129456 Molecular Weight: 410.59 EC Number: 636-270-7 PubChem CID: 47812

GRADE & PURITY ≥99%

Synonyms

NC00428 | PERGOLIDE MESILATE (MART.) | Pergolide mesylate [USAN] | PERGOLIDE MESYLATE [VANDF] | Pergolide mesylate (USAN:USP) | SMR000058504 | SPECTRUM1503269 | (8beta)-8-[(methylsulfanyl)methyl]-6-propylergoline methanesulfonate | AS-76940 | AKOS01589668

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Pergolide mesilate

Specifications

Synonyms

NC00428 | PERGOLIDE MESILATE (MART.) | Pergolide mesylate [USAN] | PERGOLIDE MESYLATE [VANDF] | Pergolide mesylate (USAN:USP) | SMR000058504 | SPECTRUM1503269 | (8beta)-8-[(methylsulfanyl)methyl]-6-propylergoline methanesulfonate | AS-76940 | AKOS01589668

Specifications & Purity

≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

AGONIST

Mechanism of action

Dopamine receptor agonist

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC.CS(=O)(=O)O
• IUPAC Name: (6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid
• InChIKey: UWCVGPLTGZWHGS-ZORIOUSZSA-N
• 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
• Isomeric SMILES: CCCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC.CS(=O)(=O)O
• WGK Germany: 3
• RTECS: KE6345000
• PubChem CID: 47812
• Molecular Weight: 410.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Indoloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Indoloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoloquinolines
• Alternative Parents: Ergoline and derivatives Benzoquinolines Pyrroloquinolines 3-alkylindoles Isoindoles and derivatives Aralkylamines Benzenoids Piperidines Pyrroles Heteroaromatic compounds Trialkylamines Dialkylthioethers Azacyclic compounds Sulfenyl compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Ergoline skeleton - Indoloquinoline - Benzoquinoline - Pyrroloquinoline - 3-alkylindole - Indole - Indole or derivatives - Alkaloid or derivatives - Isoindole or derivatives - Aralkylamine - Benzenoid - Piperidine - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Sulfenyl compound - Dialkylthioether - Azacycle - Thioether - Amine - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoloquinolines. These are polycyclic aromatic compounds containing an indole fused to a quinoline.
• External Descriptors: methanesulfonate salt

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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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HEK293 (82097 Activities)

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ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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ERG Tbio Transcriptional regulator ERG (5589 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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GMNN Tbio Geminin (128009 Activities)

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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KPNB1 Tbio Importin subunit beta-1/Snurportin-1 (25097 Activities)

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Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Canis familiaris (36305 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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FTL Ferritin light chain (43324 Activities)

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Drd5 Dopamine receptor (1304 Activities)

Discover Target: Drd5

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 10 mg/mL Water 82 mg/mL Ethanol <1 mg/mL
• Sensitivity: Moisture sensitive
• Molecular Weight: 410.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 410.17 Da
• Monoisotopic Mass: 410.17 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 480.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 2

XLogP3