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Home > Quinoline > 171961-95-8
171961-95-8 | (5aR,11bS)-2-propyl-4,5,5a,6,7,11b-hexahydrobenzo[f]thieno[2,3-c]quinoline-9,10-diol
CAS No: 171961-95-8 Catalog No: AG01DJTE MDL No:
Product Description
Catalog Number:
AG01DJTE
Chemical Name:
(5aR,11bS)-2-propyl-4,5,5a,6,7,11b-hexahydrobenzo[f]thieno[2,3-c]quinoline-9,10-diol
CAS Number:
171961-95-8
Molecular Formula:
C18H21NO2S
Molecular Weight:
315.4298
IUPAC Name:
(1S,10R)-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene-4,5-diol
InChI:
InChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m1/s1
InChI Key:
REHAKLRYABHSQJ-KDOFPFPSSA-N
SMILES:
CCCc1sc2c(c1)[C@H]1[C@H](NC2)CCc2c1cc(O)c(c2)O
UNII:
S3ZIH99X6E
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
315.129g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
315.431g/mol
Monoisotopic Mass:
315.129g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Catalytic enantioselective synthesis of A-86929, a dopamine D1 agonist. | Chemical communications (Cambridge, England) 20110407 |
| Differential activation of adenylate cyclase and receptor internalization by novel dopamine D1 receptor agonists. | Molecular pharmacology 20051001 |
| Construction of arene-fused-piperidine motifs by asymmetric addition of 2-trityloxymethylaryllithiums to nitroalkenes: the asymmetric synthesis of a dopamine D1 full agonist, A-86929. | Journal of the American Chemical Society 20040225 |
| Effects of dopamine D1 receptor full agonists in rats trained to discriminate SKF 38393. | Behavioural pharmacology 20040201 |
| (+)-Dinapsoline: an efficient synthesis and pharmacological profile of a novel dopamine agonist. | Journal of medicinal chemistry 20020815 |
| Potential therapeutic use of the selective dopamine D1 receptor agonist, A-86929: an acute study in parkinsonian levodopa-primed monkeys. | Neurology 19970801 |
| Substituted hexahydrobenzo[f]thieno[c]quinolines as dopamine D1-selective agonists: synthesis and biological evaluation in vitro and in vivo. | Journal of medicinal chemistry 19970523 |
| The selective dopamine D1 receptor agonist A-86929 maintains efficacy with repeated treatment in rodent and primate models of Parkinson's disease. | The Journal of pharmacology and experimental therapeutics 19970401 |
| Hyperactivity and behavioral seizures in rodents following treatment with the dopamine D1 receptor agonists A-86929 and ABT-431. | European journal of pharmacology 19961219 |
| ABT-431: the diacetyl prodrug of A-86929, a potent and selective dopamine D1 receptor agonist: in vitro characterization and effects in animal models of Parkinson's disease. | The Journal of pharmacology and experimental therapeutics 19960101 |
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