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SBE 13 hydrochloride - 10mM in DMSO, high purity , CAS No.1052532-15-6
Basic Description
Synonyms
1052532-15-6 | SBE13 hydrochloride | SBE 13 hydrochloride | SBE 13 HCl | SBE13 (Hydrochloride) | SBE-13 HCl | N-(4-((6-chloropyridin-3-yl)methoxy)-3-methoxybenzyl)-2-(3,4-dimethoxyphenyl)ethanamine hydrochloride | MLS000538104 | N-[[4-[(6-chloropyridin-3-yl)methoxy]-3-me
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
SBE13 is a cell-permeable highly potent polo-like kinase (Plk1) inhibitor that targets the inactive conformation of the kinase. SBE13 does not effect the activity of Plk2, Plk3, Aurora A kinases.
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
Application
SBE 13 hydrochloride may be used in cell signaling studies.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Amaryllidaceae alkaloids
Subclass
Norbelladine-type amaryllidaceae alkaloids
Intermediate Tree Nodes
Not available
Direct Parent
Norbelladine-type amaryllidaceae alkaloids
Alternative Parents
Dimethoxybenzenes Phenethylamines Phenylmethylamines Phenoxy compounds Anisoles Benzylamines 2-halopyridines Alkyl aryl ethers Aralkylamines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Dialkylamines Organochlorides Hydrocarbon derivatives Hydrochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Norbelladine skeleton - O-dimethoxybenzene - Dimethoxybenzene - Phenethylamine - Phenoxy compound - Anisole - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - Alkyl aryl ether - 2-halopyridine - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Ether - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Hydrochloride - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as norbelladine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids compounds containing the norbelladine skeleton. They are derived initially from the condensation of tyramine and protocatechuic aldehyde or its derivatives in plants.
External Descriptors
Not available
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.
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
N-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
INCHI
InChI=1S/C24H27ClN2O4.ClH/c1-28-20-7-4-17(12-22(20)29-2)10-11-26-14-18-5-8-21(23(13-18)30-3)31-16-19-6-9-24(25)27-15-19;/h4-9,12-13,15,26H,10-11,14,16H2,1-3H3;1H
InChIKey
QBGSVDJLQQXEGG-UHFFFAOYSA-N
Smiles
COC1=C(C=C(C=C1)CCNCC2=CC(=C(C=C2)OCC3=CN=C(C=C3)Cl)OC)OC.Cl
Isomeric SMILES
COC1=C(C=C(C=C1)CCNCC2=CC(=C(C=C2)OCC3=CN=C(C=C3)Cl)OC)OC.Cl
WGK Germany
3
PubChem CID
11948807
Molecular Weight
479.4
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
479.400 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
11
Exact Mass
478.143 Da
Monoisotopic Mass
478.143 Da
Topological Polar Surface Area
61.800 Ų
Heavy Atom Count
32
Formal Charge
0
Complexity
500.000
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
2
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