Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C19H25NOS |
Molecular Weight | 315.473 |
Optical Activity | ( + ) |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCN(CCC1=CC=CS1)[C@@H]2CCC3=C(C2)C=CC=C3O
InChI
InChIKey=KFQYTPMOWPVWEJ-MRXNPFEDSA-N
InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m1/s1
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/8773470Curator's Comment: The description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/3427980 | https://www.ncbi.nlm.nih.gov/pubmed/1346636
Sources: https://www.ncbi.nlm.nih.gov/pubmed/8773470
Curator's Comment: The description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/3427980 | https://www.ncbi.nlm.nih.gov/pubmed/1346636
(+)-Rotigotine is the inactive enantiomer of dopamine receptor agonist (-)-Rotigotine. (+)-Rotigotine is weak agonist of dopamine receptor.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL217 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8773470 |
4.8 nM [Ki] | ||
Target ID: CHEMBL219 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8773470 |
7.7 nM [Ki] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/3427980
Single administration - 10 uM
Route of Administration:
Other
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/8773470
Using [3H]U-86170, a dopamine receptor agonist, the drug affinities were determined at the high affinity agonist state of the dopamine hD21 receptor, and using [3H]raclopride, a dopamine receptor antagonist, in the presence of 600 mkM GTP the drug affinities were determined at the low affinity agonist state of the receptor. Using [ 3H]( +)-2-(N-propyl-N-2-thienylethylamino)-5-hydroxytetralin ([3H]N-0437) (0.6 mkM) in 50 mM Hepes, l0 mM MgSO 4, pH 7.4, an agonist at the dopamine hD4. 4 receptor, the drug affinities were determined at the high affinity agonist state of the hD4. 4 receptor, and using [3H]YM-09151-2, a dopamine hD4. 4 antagonist, in the presence of 600 mkM GTP the drug affinities were determined at the low affinity agonist state of the dopamine hD4. 4 receptor. Incubation was for l h at room temperature, samples were filtered, and counted. The non-specific binding determinant was 3 mkM pimozide.
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112835-48-0
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9904975
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SUBSTANCE RECORD