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3M-002 , CAS No.M607166, Agonist of TLR8
Basic Description
Synonyms
2-PROPYL-[1,3]THIAZOLO[4,5-C]QUINOLIN-4-AMINE | 2-Propyl[1,3]thiazolo[4,5-C]quinolin-4-Amine | 2-propylthiazolo[4,5-c]quinolin-4-amine | 2-propylthiazolo[4,5-c]quinolin4-amine | BDBM50398245 | EX-A5490 | CL 075 | 3M-002 | CL075 | CL-075 | HY-117066 | AS-3
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of TLR8
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Aminoquinolines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Aminoquinolines and derivatives
Alternative Parents
Aminopyridines and derivatives Imidolactams Benzenoids Thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminoquinoline - Aminopyridine - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
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
2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
INCHI
InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15)
InChIKey
NFYMGJSUKCDVJR-UHFFFAOYSA-N
Smiles
CCCc1nc2c(s1)c1ccccc1nc2N
Isomeric SMILES
CCCC1=NC2=C(S1)C3=CC=CC=C3N=C2N
PubChem CID
10198719
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
243.330 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
243.083 Da
Monoisotopic Mass
243.083 Da
Topological Polar Surface Area
80.000 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
273.000
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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