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Home > Pyridines > 1135243-19-4
1135243-19-4 | 2,1,3-Benzothiadiazole-4-sulfonamide, N-[3-oxo-3-[4-(4-pyridinyl)-1-piperazinyl]propyl]-
CAS No: 1135243-19-4 Catalog No: AG0008W7 MDL No:
Product Description
Catalog Number:
AG0008W7
Chemical Name:
2,1,3-Benzothiadiazole-4-sulfonamide, N-[3-oxo-3-[4-(4-pyridinyl)-1-piperazinyl]propyl]-
CAS Number:
1135243-19-4
Molecular Formula:
C18H20N6O3S2
Molecular Weight:
432.5198
IUPAC Name:
N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide
InChI:
InChI=1S/C18H20N6O3S2/c25-17(24-12-10-23(11-13-24)14-4-7-19-8-5-14)6-9-20-29(26,27)16-3-1-2-15-18(16)22-28-21-15/h1-5,7-8,20H,6,9-13H2
InChI Key:
WXDHQWPQLKGANZ-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2
Properties
Complexity:
659
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.104g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
432.517g/mol
Monoisotopic Mass:
432.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Development of novel M1 antagonist scaffolds through the continued optimization of the MLPCN probe ML012. | Bioorganic & medicinal chemistry letters 20120801 |
| Roles of the M1 muscarinic acetylcholine receptor subtype in the regulation of basal ganglia function and implications for the treatment of Parkinson's disease. | The Journal of pharmacology and experimental therapeutics 20120301 |
| A novel selective muscarinic acetylcholine receptor subtype 1 antagonist reduces seizures without impairing hippocampus-dependent learning. | Molecular pharmacology 20090801 |
| Discovery and development of a potent and highly selective small molecule muscarinic acetylcholine receptor subtype I (mAChR 1 or M1) antagonist in vitro and in vivo probe. | Current topics in medicinal chemistry 20090101 |
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