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Chemical structure of CCR4 antagonist 4

GC71428

CCR4 antagonist 4

Also known as [4-[4-[(2,4-dichlorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone

CCR4 antagonist 4 (compound 22) is a selective and potent antagonist of the CC chemokine receptor-4 (CCR4), with an IC50 of 0·02 μM

ChemicalCAS668980-17-4MW500.42FormulaC24H27Cl2N7O
CAS number
668980-17-4
Molecular weight
500.42
Formula
C24H27Cl2N7O
Solubility
DMSO ： ≥ 100 mg/mL (199·83 mM)
InChIKey
GDQQUDANFRCFMF-HXUWFJFHSA-N
Catalogue number
GC71428
Brand
GLPBIO
Computed properties PubChem CID 9827294 · XLogP 4.1 · TPSA 86.3 Ų · H-bond donors 2
XLogP
4.1
TPSA
86.3 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
34

SMILES C1CCN[C@H](C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=N4)C(=N3)NCC5=C(C=C(C=C5)Cl)Cl

Computed descriptors from PubChem (CID 9827294), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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