CXCR3 Antagonist 6c | CAS 870998-13-3 | AnyMole

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HIT214321410

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HIT214321410

HIT ID:HIT214321410
Cas No:870998-13-3
常用名:CXCR3 Antagonist 6c
IUPAC:4-[2-(3-chlorobenzamido)-4-{[2-(2,4-dichlorophenyl)ethyl]carbamoyl}phenyl]-N-ethyl-1,4-diazepane-1-carboxamide
IUPAC:4-[2-(3-chlorobenzamido)-4-{[2-(2,4-dichlorophenyl)ethyl]carbamoyl}phenyl]-N-ethyl-1,4-diazepane-1-carboxamide
InChI key:VPDHCRDNIQTCFU-UHFFFAOYSA-N

分子式:C30H32Cl3N5O3
分子量:616.97
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl
SMILES:CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl

CXCR3 antagonist 6c is an antagonist of chemokine (C-X-C motif) receptor 3 (CXCR3).1It inhibits calcium mobilization induced by chemokine (C-X-C motif) ligand 11 (CXCL11) in HEK293 cells expressing the human receptor (IC50= 0.06 μM). It is selective for CXCR3 over a panel of 14 human G protein-coupled receptors at 10 μM. CXCR3 antagonist 6c inhibits CXCR3-mediated migration of isolated human T cells (IC50= ~100 nM).

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