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SLW131

CAT: 0804-HY-173052Size: 1 EachDry Ice: NoHazardous: No
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Description
SLW131 (Compound 10) is the antagonist for CCR7 with a good affinity of Ki of 9.85 nM. SLW131 inhibits CCL19-induced Go protein activation with an IC50 of 29.4 μM, inhibits β-arrestin2 recruitment with an IC50 of 6.0 μM. SLW131 inhibits CCL19-induced cell morphological changes in primary BMDCs, and CCR7-mediated migration in mouse CD4+ T cell[1].
CAS Number
681511-84-2
UNSPSC
12352005
Target
CXCR
Related Pathways
GPCR/G Protein; Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Smiles
O=C(C1=CC=CC(NC(C(N[C@H](C(C)(C)C)C2=CC=C(O2)C)=N3)=NS3(=O)=O)=C1O)N(C)C
Molecular Formula
C21H27N5O5S
Molecular Weight
461.53
References & Citations
[1]Wurnig SL, et al., A Fluorescent Probe Enables the Discovery of Improved Antagonists Targeting the Intracellular Allosteric Site of the Chemokine Receptor CCR7. J Med Chem. 2025 Feb 27;68 (4) :4308-4333.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CAS Number681511-84-2
PubChem CID135457566
IUPAC Name3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
Molecular FormulaC21H27N5O5S
Molecular Weight461.5
XLogP3.1
Topological Polar Surface Area145
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity874
SMILES
CC1=CC=C(O1)[C@@H](C(C)(C)C)N=C2C(=NS(=O)(=O)N2)NC3=CC=CC(=C3O)C(=O)N(C)C
InChI
InChI=1S/C21H27N5O5S/c1-12-10-11-15(31-12)17(21(2,3)4)23-19-18(24-32(29,30)25-19)22-14-9-7-8-13(16(14)27)20(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKey
FJTSRDJNSPTGCT-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of 3-[[4-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CAS: 681511-84-2
CID: 135457566
Formula: C21H27N5O5S
MW: 461.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.5
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass461.17329015
Monoisotopic Mass461.17329015
Topological Polar Surface Area145 Ų
Heavy Atom Count32
Formal Charge0
Complexity874
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T205065-01SLW131

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