CL 075 - Moligand™, ≥98%(HPLC) , Agonist of TLR8, CAS No.256922-53-9, Agonist of TLR8

CAS: 256922-53-9 Cat. No.: C288075 Molecular Weight: 243.33

GRADE & PURITY Moligand™, ≥98%(HPLC)

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

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™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

TLR8 agonist. Induces production of TNF-α and IL-12 from peripheral blood mononuclear cells (PBMCs). Promotes maturation of monocyte-derived dendritic cells in combination withPoly(I:C).

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of TLR8

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CCCC1=NC2=C(S1)C3=CC=CC=C3N=C2N
• IUPAC Name: 2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
• InChIKey: NFYMGJSUKCDVJR-UHFFFAOYSA-N
• 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)
• Isomeric SMILES: CCCC1=NC2=C(S1)C3=CC=CC=C3N=C2N
• Alternate CAS: 256922-53-9
• MeSH Entry Terms: CL 075;CL-075;CL075 cpd
• Molecular Weight: 243.33
• Reaxy-Rn: 11322027
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11322027&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TLR8 Tchem Toll-like receptor 8 (1 Activities)

Discover Target: TLR8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PBMC (10003 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TLR8 Tchem Toll-like receptor 8 (1853 Activities)

Discover Target: TLR8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Human immunodeficiency virus 1 (70413 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hepatitis C virus (23859 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Tlr7 Toll-like receptor 7 (174 Activities)

Discover Target: Tlr7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 12.17, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 2.43, Max Conc. mM: 10
• 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

References

1. Pingfeng Fu, Xiaofeng Lin, Gen Li, Zihao Chen, Hua Peng.  (2018)  Degradation of Thiol Collectors Using Ozone at a Low Dosage: Kinetics, Mineralization, Ozone Utilization, and Changes of Biodegradability and Water Quality Parameters.  Minerals,  8  (11): (477).  [PMID:] [10.3390/min8110477]