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Chemical structure of CCR8 antagonist 1

GC65141

CCR8 antagonist 1

Also known as ethyl 4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate

CCR8 antagonist 1 (compound 15) is a potente human CCR8 antagonist with a Ki of 1·6 nM

ChemicalCAS723304-76-5MW495.59FormulaC26H29N3O5S
CAS number
723304-76-5
Molecular weight
495.59
Formula
C26H29N3O5S
Solubility
DMSO ： 25 mg/mL (50·44 mM; Need ultrasonic)
InChIKey
LGJRRERRFSZFTJ-UHFFFAOYSA-N
Catalogue number
GC65141
Brand
GLPBIO
Computed properties PubChem CID 16105788 · XLogP 4.2 · TPSA 113 Ų · H-bond donors 2
XLogP
4.2
TPSA
113 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
35

SMILES CCOC(=O)N1CCC(CC1)NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)NC(=O)C4=CC=CC=C4C

Computed descriptors from PubChem (CID 16105788), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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