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Adrogolide

CAT: 0804-HY-160718Size: 1 EachDry Ice: NoHazardous: No
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Description
Adrogolide is an A-86929 prodrug and dopamine D1 receptor agonist. Adrogolide is converted rapidly in plasma to A-86929. Adrogolide improves behavioral disability and locomotor activity scores. Adrogolide can also attenuate the ability of Cocaine to induce Cocaine-seeking behavior. Adrogolide can be used in the research of Parkinson's disease[1].
CAS Number
171752-56-0
Product Name Alternative
ABT-431; DAS-431
UNSPSC
12352005
Target
Dopamine Receptor
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease
Smiles
CC(OC1=C(OC(C)=O)C=C2CC[C@@]3([H])NCC(SC(CCC)=C4)=C4[C@]3([H])C2=C1)=O
Molecular Formula
C22H25NO4S
Molecular Weight
399.50
References & Citations
[1]Giardina WJ, et al. Adrogolide HCl (ABT-431; DAS-431), a prodrug of the dopamine D1 receptor agonist, A-86929: preclinical pharmacology and clinical data. CNS Drug Rev. 2001 Fall;7 (3) :305-16.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
D1 Receptor

Chemical Information

Adrogolide

Adrogolide is a small molecule drug. The usage of the INN stem '-golide' in the name indicates that Adrogolide is a ergoline derivative dopamine receptor agonist. Adrogolide has a monoisotopic molecular weight of 399.15 Da.

CAS Number171752-56-0
PubChem CID176876
IUPAC Name[(1S,10R)-4-acetyloxy-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaen-5-yl] acetate
Molecular FormulaC22H25NO4S
Molecular Weight399.5
XLogP3.6
Topological Polar Surface Area92.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity599
SMILES
CCCC1=CC2=C(S1)CN[C@H]3[C@H]2C4=CC(=C(C=C4CC3)OC(=O)C)OC(=O)C
InChI
InChI=1S/C22H25NO4S/c1-4-5-15-9-17-21(28-15)11-23-18-7-6-14-8-19(26-12(2)24)20(27-13(3)25)10-16(14)22(17)18/h8-10,18,22-23H,4-7,11H2,1-3H3/t18-,22+/m1/s1
InChIKey
KTEBZVJGMARTOQ-GCJKJVERSA-N
Chemical Structure
2D Structure
2D structure of Adrogolide
CAS: 171752-56-0
CID: 176876
Formula: C22H25NO4S
MW: 399.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass399.15042945
Monoisotopic Mass399.15042945
Topological Polar Surface Area92.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity599
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AR-Z00995-01Adrogolide
T29674-01Adrogolide HCl
AR-A05709-01N-Nitroso Adrogolide

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