Name: trans-J-113863
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HIT ID:HIT218832984
Cas No:
Common Name:trans-J-113863
IUPAC:(1r,4s)-1-[(cyclooct-1-en-1-yl)methyl]-4-(2,7-dichloro-9H-xanthene-9-amido)-1-ethylpiperidin-1-ium iodide
IUPAC:(1r,4s)-1-[(cyclooct-1-en-1-yl)methyl]-4-(2,7-dichloro-9H-xanthene-9-amido)-1-ethylpiperidin-1-ium iodide
InChIKey:FOAFBMYSXIGAOX-KPAYBJLXSA-N

Molecular Formula:C30H37Cl2IN2O2
Molecular Weight:655.44
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:[I-].CC[N@+]1(CC2=CCCCCCC2)CC[C@@H](CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12
SMILES:[I-].CC[N@+]1(CC2=CCCCCCC2)CC[C@@H](CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12

Trans-J-113863 serves as a potent antagonist of chemokine receptors CCR1 and CCR3, effectively inhibiting MIP-1α-induced chemotaxis in CCR1 transfectants and eotaxin-induced chemotaxis in CCR3 transfectants, with respective half-maximal inhibitory concentrations (IC₅₀) of 9.57 nM and 93.8 nM [1] [2].

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