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170858-33-0 | Benzenesulfonamide, 4-(4-(2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl)-1 -piperazinyl)-, (S)-
CAS No: 170858-33-0 Catalog No: AG00ACLD MDL No:
Product Description
Catalog Number:
AG00ACLD
Chemical Name:
Benzenesulfonamide, 4-(4-(2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl)-1 -piperazinyl)-, (S)-
CAS Number:
170858-33-0
Molecular Formula:
C21H27N3O3S
Molecular Weight:
401.5224
IUPAC Name:
4-[4-[2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide
InChI:
InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m0/s1
InChI Key:
WNUQCGWXPNGORO-NRFANRHFSA-N
SMILES:
NS(=O)(=O)c1ccc(cc1)N1CCN(CC1)CC[C@@H]1OCCc2c1cccc2
UNII:
O609V24217
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
401.177g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
401.525g/mol
Monoisotopic Mass:
401.177g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| WAY 100635 produces discriminative stimulus effects in rats mediated by dopamine D(4) receptor activation. | Behavioural pharmacology 20090201 |
| Lu 35-138 ((+)-(S)-3-{1-[2-(1-acetyl-2,3-dihydro-1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl}-6-chloro-1H-indole), a dopamine D4 receptor antagonist and serotonin reuptake inhibitor: characterisation of its in vitro profile and pre-clinical antipsychotic potential. | European journal of pharmacology 20071114 |
| Certain 1,4-disubstituted aromatic piperidines and piperazines with extreme selectivity for the dopamine D4 receptor interact with a common receptor microdomain. | Molecular pharmacology 20041201 |
| Effectiveness of the selective D4 antagonist sonepiprazole in schizophrenia: a placebo-controlled trial. | Biological psychiatry 20040301 |
| Dopamine D4 receptor-deficient mice display cortical hyperexcitability. | The Journal of neuroscience : the official journal of the Society for Neuroscience 20010601 |
| Current and novel approaches to the drug treatment of schizophrenia. | Journal of medicinal chemistry 20010215 |
| Substituted 4-aminopiperidines having high in vitro affinity and selectivity for the cloned human dopamine D4 receptor. | European journal of pharmacology 19970319 |
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