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Antiviral API
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NBD-556
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 333353-44-9 |
| Description | NBD-556 is small molecule mimetic of CD4. NBD-556 recognizes the HIV-1 envelope protein gp120 and induces restructuring of gp120 analogous to CD4 binding. The CD4-induced conformational change in gp120 is necessary for interaction with CCR5. |
Product Information
| Synonyms | NBD-556; NBD 556; NBD556. |
| Molecular Weight | 337.84 |
| Molecular Formula | C17H24ClN3O2 |
| Canonical SMILES | CC1(CC(CC(N1)(C)C)NC(=O)C(=O)NC2=CC=C(C=C2)Cl)C |
| InChI | InChI=1S/C17H24ClN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23) |
| InChIKey | ZKXLQCIOURANAD-UHFFFAOYSA-N |
| Purity | >98% |
| Solubility | In vitro: 10 mM in DMSO |
| Appearance | White to off-white (Solid) |
| Storage | Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month |
| Complexity | 441 |
| Exact Mass | 337.1557047 |
| In Vitro | NBD-556 (1-100 μM) inhibits HIV-1 envelope-mediated virus-cell and cell-cell fusion. NBD-556 inhibits the infection of MT-2 cells by laboratory-adapted HIV-1 IIIB, MN, and V32 strains, with IC50s of 6.5, 15.9, and 5.3 µM, respectively. NBD-556 (1-100 μM) inhibits the CD4-dependent virus in a dose-dependent manner with an IC50 of 22.6 μM. |
| In Vivo | NBD-556 (1-100 μM) inhibits HIV-1 envelope-mediated virus-cell and cell-cell fusion. |
| PSA | 73.72000 |
| Target | HIV |
| XLogP3-AA | 2.8 |
