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Cabergoline

CAT: 0931-T14853-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T14853-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81409-90-7
Target
Autophagy, 5-HT Receptor, Dopamine Receptor
Related Pathways
GPCR/G Protein, Autophagy, Neuroscience
Purity
0.9992
Bioactivity
Cabergoline (FCE-21336) is an ergot derived-dopamine D2-like receptor agonist. It has high affinity for D2, D3, and 5-HT2B receptors (Ki=0.7, 1.5, and 1.2, respectively) .Cabergoline permits rapid and effective hormonal and tumor control by normalizing prolactin-producing pituitary adenomas levels.
Smiles
[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC
Molecular Formula
C26H37N5O2
Molecular Weight
451.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cabergoline

Cabergoline is an N-acylurea that is (8R)-ergoline-8-carboxamide in which the hydrogen attached to the piperidine nitrogen (position 6) is substituted by an allyl group and the hydrogens attached to the carboxamide nitrogen are substituted by a 3-(dimethylamino)propyl group and an N-ethylcarbamoyl group. A dopamine D2 receptor agonist, cabergoline is used in the management of Parkinson's disease and of disorders associated with hyperprolactinaemia. It has a role as an antineoplastic agent, an antiparkinson drug and a dopamine agonist.

CAS Number81409-90-7
PubChem CID54746
IUPAC Name(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular FormulaC26H37N5O2
Molecular Weight451.6
XLogP3.4
Topological Polar Surface Area71.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity713
SMILES
CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C
InChI
InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1
InChIKey
KORNTPPJEAJQIU-KJXAQDMKSA-N
Chemical Structure
2D Structure
2D structure of Cabergoline
CAS: 81409-90-7
CID: 54746
Formula: C26H37N5O2
MW: 451.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.6
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass451.29472544
Monoisotopic Mass451.29472544
Topological Polar Surface Area71.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity713
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B3541-50Cabergoline
HY-15296ACabergoline (diphosphate)
RM-C012713-01Cabergoline-d6

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