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Chemical structure of CCR2 antagonist 4

GC60679

CCR2 antagonist 4

Also known as N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

CCR2 antagonist 4 (Teijin compound 1) is a potent and specific CCR2 antagonist, with IC50s of 180 nM for CCR2b

ChemicalCAS226226-39-7MW439.86FormulaC21H21ClF3N3O2
CAS number
226226-39-7
Molecular weight
439.86
Formula
C21H21ClF3N3O2
Solubility
DMSO： ≥ 50 mg/mL (113·67 mM)
InChIKey
BAOQJSULMWXFRK-GOSISDBHSA-N
Catalogue number
GC60679
Brand
GLPBIO
Computed properties PubChem CID 44453327 · XLogP 3.8 · TPSA 61.4 Ų · H-bond donors 2
XLogP
3.8
TPSA
61.4 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30

SMILES C1CN(C[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)CC3=CC=C(C=C3)Cl

Computed descriptors from PubChem (CID 44453327), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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