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PBT-1033 - 97%, high purity , CAS No.747408-78-2
Basic Description
Synonyms
PBT-1033 | 747408-78-2 | 5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol | PBT-2 | PBT2 | 8-Quinolinol, 5,7-dichloro-2-((dimethylamino)methyl)- | PB 1033 | Q7K6GJQ4O4 | 5,7-Dichloro-2-((dimethylamino)methyl)quinolin-8-ol | PBT 1033 | PBT2 Compound | PBT 2 | PBT 2 (anti-Alzhe
Specifications & Purity
Moligand™, ≥97%
Storage Temp
Room temperature
Shipped In
Normal
Grade
Moligand™
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Haloquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Chloroquinolines
Alternative Parents
8-hydroxyquinolines Halophenols 2-pyridylmethylamines Aralkylamines Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chloroquinoline - 8-hydroxyquinoline - 2-pyridylmethylamine - 4-halophenol - 2-halophenol - Aralkylamine - Phenol - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
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.
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
5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-ol
INCHI
InChI=1S/C12H12Cl2N2O/c1-16(2)6-7-3-4-8-9(13)5-10(14)12(17)11(8)15-7/h3-5,17H,6H2,1-2H3
InChIKey
YZPOQCQXOSEMAZ-UHFFFAOYSA-N
Smiles
CN(C)CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl
Isomeric SMILES
CN(C)CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl
Alternate CAS
747408-78-2,1123760-88-2
PubChem CID
10016012
MeSH Entry Terms
5,7-dichloro-2-((dimethylamino)methyl)-8-hydroxyquinoline;PBT2 compound
Molecular Weight
271.14
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
271.140 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
270.033 Da
Monoisotopic Mass
270.033 Da
Topological Polar Surface Area
36.400 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
265.000
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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