Pergolide

CAT: 0804-HY-13720-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-13720-02Size:10 mg

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Description

Pergolide (LY127809 (free base) ) is an ergot-derived orally active dopamine receptor agonist. Pergolide can be used for Parkinson disease research[1].

CAS Number

66104-22-1

Product Name Alternative

LY127809 (free base)

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

Dopamine Receptor

Type

Reference compound

Related Pathways

GPCR/G Protein; Neuronal Signaling

Applications

Neuroscience-Neurodegeneration

Field of Research

Neurological Disease

Assay Protocol

https://www.medchemexpress.com/pergolide.html

Purity

98.59

Solubility

DMSO : 4.17 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

[H][C@@]1(N(CCC)C[C@H](CSC)C[C@@]12[H])CC3=CNC4=CC=CC2=C43

Molecular Formula

C19H26N2S

Molecular Weight

314.49

Precautions

H302, H315, H319, H335

References & Citations

[1]Van Camp G, et al. Treatment of Parkinson's disease with pergolide and relation to restrictive valvular heart disease. Lancet. 2004 Apr 10;363 (9416) :1179-83.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Launched

Chemical Information

Pergolide

Pergolide is a diamine that is ergoline in which the beta-hydrogen at position 8 is replaced by a (methylthio)methyl group and the hydrogen attached to the piperidine nitrogen (position 6) is replaced by a propyl group. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used as the mesylate salt in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction.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 an antiparkinson drug and a dopamine agonist. It is a diamine, an organic heterotetracyclic compound and a methyl sulfide. It is a conjugate base of a pergolide(1+).

CAS Number	66104-22-1
PubChem CID	47811
IUPAC Name	(6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Molecular Formula	C19H26N2S
Molecular Weight	314.5
XLogP	4.2
Topological Polar Surface Area	44.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	388

SMILES

CCCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC

InChI

InChI=1S/C19H26N2S/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/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1

InChIKey

YEHCICAEULNIGD-MZMPZRCHSA-N

Chemical Structure

2D Structure

CAS: 66104-22-1

CID: 47811

Formula: C19H26N2S

MW: 314.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	314.5
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	314.18167001
Monoisotopic Mass	314.18167001
Topological Polar Surface Area	44.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	388
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-N3845-01	Ergosterol peroxide
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Catalog	Name
BUP21439-01	Pergolide
FP26840-01	Pergolide mesylate
RM-P050700-01	Pergolide Mesilate
sc-212539F	Pergolide Sulfoxide
MBS6118324-01	Pergolide Sulfone

Pergolide

Chemical Information

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