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1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine, free base - 98%, high purity , CAS No.28289-54-5
a dopaminergic neurotoxin
Basic Description
Synonyms
AMY23633 | AKOS003657026 | N-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine | 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine | BRN 0133712 | J-017031 | CHEBI:17963 | PYRIDINE, 1,2,3,6-TETRAHYDRO-1-METHYL-4-PHENYL- | 1-Methyl-4-phenyl-1,2,5,6-tetrahydropyridine | E
Specifications & Purity
≥98%
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
A dopaminergic neurotoxin which reportedly causes a severe and irreversible Parkinsonian condition in humans and monkeys.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydropyridines
Intermediate Tree Nodes
Not available
Direct Parent
Hydropyridines
Alternative Parents
Benzene and substituted derivatives Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenoid - Hydropyridine - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydropyridines. These are compounds containing a hydrogenated pyridine ring (i.e. containing less than the maximum number of double bonds.).
External Descriptors
methylpyridines - tetrahydropyridine - phenylpyridine
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
1-methyl-4-phenyl-3,6-dihydro-2H-pyridine
INCHI
InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
InChIKey
PLRACCBDVIHHLZ-UHFFFAOYSA-N
Smiles
CN1CCC(=CC1)C2=CC=CC=C2
Isomeric SMILES
CN1CCC(=CC1)C2=CC=CC=C2
Molecular Weight
173.26
Reaxy-Rn
133712
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=133712&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Chloroform, Dichloromethane and Ethyl Acetate
Boil Point(°C)
128-132° C (lit.) at 12 mmHg
Melt Point(°C)
37-40° C
Molecular Weight
173.250 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
173.12 Da
Monoisotopic Mass
173.12 Da
Topological Polar Surface Area
3.200 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
189.000
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
Citations of This Product
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6 Citations