EBOV-IN-1

• CAT Number: I040355
• CAS Number: 1335113-30-8
• Molecular Formula: C34H43N3O5
• Molecular Weight: 573.72
• Purity: ≥95%
• Synonyms: methyl 4-[[2-[[4-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperazin-1-yl]methyl]phenoxy]methyl]benzoate
• InChI: InChI=1S/C34H43N3O5/c1-41-33(40)28-8-6-24(7-9-28)23-42-30-5-3-2-4-29(30)22-36-10-12-37(13-11-36)32(39)21-35-31(38)20-34-17-25-14-26(18-34)16-27(15-25)19-34/h2-9,25-27H,10-23H2,1H3,(H,35,38)
• InChIKey: KSISWIVDFITFKQ-UHFFFAOYSA-N
• SMILES: COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2CN3CCN(CC3)C(=O)CNC(=O)CC45CC6CC(C4)CC(C6)C5

EBOV-IN-1 (com 3.47) is an adamantane dipeptide piperazine and an inhibitor of Ebola virus (EBOV). EBOV-IN-1 targets Niemann-Pick C1 (NPC1) and inhibits its binding to the EBOV glycoprotein (GP) that activates and mediates viral penetration into host cells, thereby inhibiting EBOV infection. EBOV-IN-1 inhibits pseudotyped EBOV infection with an IC50 of 13 nM[1].

Reference

[1]. Liu H, et al. Identification of Potent Ebola Virus Entry Inhibitors with Suitable Properties for in Vivo Studies. J Med Chem. 2018 Jul 26;61(14):6293-6307.
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