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CCR4 antagonist 3-1

CAT: 0013-GTR19188140-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188140-01Size:1 mg
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Description
CCR4 antagonist 3-1 is a small molecule inhibitor of the CCR4 chemokine receptor, demonstrating activity in vitro by blocking TARC and MDC ligand binding (IC50 = 1.7 μM) and inhibiting TARC-mediated cell migration (IC50 = 6.4 μM) . This compound is a research tool for studying CCR4-related immunology, including T-cell trafficking and associated inflammatory or oncology pathways.
CAS Number
1957-01-3
Product Name Alternative
CCR4
Field of Research
Immunology & Inflammation, Immunology & Inflammation; Pharmacology & Drug Discovery, Infectious Disease & Virology, Pharmacology & Drug Discovery
Purity
99.53% (May vary between batches)
Solubility
DMSO:45 mg/mL (187.25 mM)
Smiles
N (C=1C2=C (C=CC1) C=CC=C2) C3=NC (C) =CS3
Molecular Formula
C14H12N2S
Molecular Weight
240.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-methyl-N-(naphthalen-1-yl)thiazol-2-amine
CAS Number1957-01-3
PubChem CID692856
IUPAC Name4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine
Molecular FormulaC14H12N2S
Molecular Weight240.33
XLogP4.5
Topological Polar Surface Area53.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity259
SMILES
CC1=CSC(=N1)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C14H12N2S/c1-10-9-17-14(15-10)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,15,16)
InChIKey
QNKLFDFMOINNIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-methyl-N-(naphthalen-1-yl)thiazol-2-amine
CAS: 1957-01-3
CID: 692856
Formula: C14H12N2S
MW: 240.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.33
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass240.07211956
Monoisotopic Mass240.07211956
Topological Polar Surface Area53.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity259
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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