Name: Mavorixafor trihydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT212672192
Cas No:2309699-17-8
常用名:Mavorixafor trihydrochloride
别名:AMD-070 trihydrochloride
IUPAC:(8S)-N-(4-aminobutyl)-N-[(1H-1,3-benzodiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine trihydrochloride
IUPAC:(8S)-N-(4-aminobutyl)-N-[(1H-1,3-benzodiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine trihydrochloride
InChI key:FTHQTOSCZZCGHB-VLEZWVESSA-N

分子式:C21H30Cl3N5
分子量:458.86
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:2.6122575
SMILES:Cl.Cl.Cl.NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12
SMILES:Cl.Cl.Cl.NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12

Mavorixafor trihydrochloride is a selective and orally available CXCR4 antagonist (IC50: 13 nM against CXCR4 125I-SDF binding) and also inhibits the replication of T-tropic HIV-1 (NL4.3 strain) in MT-4 cells and PBMCs (IC50s: 1 and 9 nM).

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