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Rotigotine

CAT: 0013-GTR19160588-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19160588-01Size:1 g
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Description
A non-selective agonist of the dopamine D3 receptor (Ki=0.71 nM) ; has 10-fold selectivity for the D3 receptor over the D2, D4, and D5 receptors and 100-fold selectivity for the D3 receptor over the D1 receptor; behaves as a full agonist of D1, D2, and D3 with similar potencies (EC50) in functional assay; also demonstrates significant affinity at α-adrenergic (α2B, Ki=27 nM) and serotonin receptors (5-HT1A Ki=30 nM) ; significantly attenuates MPTP-induced acute cell degeneration in mouse model.Parkinson's Disease Approved (In Vitro) :Rotigotine (0.01-10 μM) slightly protects dopaminergic neurons against MPP+ toxicity dopamine, protects dopaminergic neurons against rotenone-induced cell death and significantly inhibits ROS production by rotenone. (In Vivo) :Rotigotine (0.1-5 mg/kg; i.h.; for 14 days; male Sprague–Dawley rats) has antidepressant effect.
CAS Number
99755-59-6
Product Name Alternative
N-0923 | SPM 962
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
CCCN (CCC1=CC=CS1) C2CCC3=C (C2) C=CC=C3O
Molecular Formula
C19H25NOS
Molecular Weight
315.4729
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
1-Naphthalenol, 5,6,7,8-tetrahydro-6-[propyl[2- (2-thienyl) ethyl]amino]-, (6S) -

Chemical Information

Rotigotine

Rotigotine is a member of tetralins.

CAS Number99755-59-6
PubChem CID59227
IUPAC Name(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
Molecular FormulaC19H25NOS
Molecular Weight315.5
XLogP4.9
Topological Polar Surface Area51.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity337
SMILES
CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=CC=C3O
InChI
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-/m0/s1
InChIKey
KFQYTPMOWPVWEJ-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Rotigotine
CAS: 99755-59-6
CID: 59227
Formula: C19H25NOS
MW: 315.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass315.16568559
Monoisotopic Mass315.16568559
Topological Polar Surface Area51.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity337
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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