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SB 200646 - 10mM in DMSO, high purity , CAS No.143797-63-1
5-HT2 Selective Inhibitors | Agonists | Antagonists | Modulators
Basic Description
Synonyms
143797-63-1 | SB-200646 | N-(1-Methyl-5-indolyl)-N'-(3-pyridyl)urea | 1-(1-Methyl-1H-indol-5-yl)-3-(pyridin-3-yl)urea | Mip-urea | SB 200646 | N-(1-Methyl-1H-indol-5-yl)-N'-3-pyridinylurea | Tocris-1371 | 1-(1-methylindol-5-yl)-3-pyridin-3-ylurea | RT8F72CL8L | CHEBI:8976 | SB
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
SB 200646 (SB 200646A) is a potent, selective and oral-active antagonist of 5-HT2B/2C over 5-HT2A receptor with 50 fold selectivity. The pKi for rat 5-HT2C receptor, rat 5-HT2B receptor and rat 5-HT2A receptor are 6.9, 7.5 and 5.2, respectively. SB 200646
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Information
SB 200646 (SB 200646A) is a potent, selective and oral-active antagonist of5-HT2B/2Cover 5-HT2A receptor with 50 fold selectivity. The pKi for rat 5-HT2C receptor, rat 5-HT2B receptor and rat 5-HT2A receptor are 6.9, 7.5 and 5.2, respectively. SB 200646 has electrophysiological and anxiolytic properties in vivo.
Targets
5-HT2B (rat) (Cell-free assay); 5-HT2C (Rat) (Cell-free assay); 5-HT2A (rat) (Cell-free assay) 7.5(pKi); 6.9(pKi); 5.2(pKi)
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
N-alkylindoles
Intermediate Tree Nodes
Not available
Direct Parent
N-alkylindoles
Alternative Parents
Indoles Pyridines and derivatives N-methylpyrroles Benzenoids Heteroaromatic compounds Isoureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-alkylindole - Indole - N-methylpyrrole - Benzenoid - Substituted pyrrole - Pyridine - Heteroaromatic compound - Pyrrole - Isourea - Carboximidic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
External Descriptors
indoles
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Product Properties
ALogP
1.871
HBD Count
2
Rotatable Bond
2
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-(1-methylindol-5-yl)-3-pyridin-3-ylurea
INCHI
InChI=1S/C15H14N4O/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13/h2-10H,1H3,(H2,17,18,20)
InChIKey
OJZZJTLBYXHUSJ-UHFFFAOYSA-N
Smiles
CN1C=CC2=C1C=CC(=C2)NC(=O)NC3=CN=CC=C3
Isomeric SMILES
CN1C=CC2=C1C=CC(=C2)NC(=O)NC3=CN=CC=C3
PubChem CID
126769
Molecular Weight
266.3
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility
53
DMSO(mM) Max Solubility
199.023657529103
Water(mg / mL) Max Solubility
˂1
Molecular Weight
266.300 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
266.117 Da
Monoisotopic Mass
266.117 Da
Topological Polar Surface Area
59.000 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
349.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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