1427304-84-4
Chemical Structure
NBD-11021
- CAS 番号: 1427304-84-4
- Formula:C22H25ClN4O2S
- Molecular Weight:444.98
IUPAC Name: 5-(4-chlorophenyl)-N-((5-(hydroxymethyl)-4-methylthiazol-2-yl)(piperidin-2-yl)methyl)-1H-pyrrole-2-carboxamide
InChIKey: FITIBROTOQOZHT-UHFFFAOYSA-N
SMILES: O=C(C1=CC=C(C2=CC=C(Cl)C=C2)N1)NC(C3=NC(C)=C(CO)S3)C4NCCCC4
Biological Activity: NBD-11021 is a HIV-1 entry antagonist and CD4 antagonist. NBD-11021 binds to the Phe43 cavity of HIV-1 gp120 and competitively blocks the gp120-CD4 interaction. NBD-11021 exhibits broad-spectrum inhibitory activity against 56 HIV-1 Env pseudoviruses of different subtypes, with an IC50 of 0.6-5.3 μM. NBD-11021 inhibits CCR5- and CXCR4-tropic HIV-1, primary HIV-1, drug-resistant HIV-1, HIV-1 Env-mediated cell fusion and intercellular viral transmission. NBD-11021 can be used in studies related to HIV-1 gp120, viral entry and HIV infection[1][2][3][4].
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NBD-11021 | NBD-11021 is a HIV-1 entry antagonist and CD4 antagonist. NBD-11021 binds to the Phe43 cavity of HIV-1 gp120 and competitively blocks the gp120-CD4 interaction. NBD-11021 exhibits broad-spectrum inhibitory activity against 56 HIV-1 Env pseudoviruses of different subtypes, with an IC50 of 0.6-5.3 μM. NBD-11021 inhibits CCR5- and CXCR4-tropic HIV-1, primary HIV-1, drug-resistant HIV-1, HIV-1 Env-mediated cell fusion and intercellular viral transmission. NBD-11021 can be used in studies related to HIV-1 gp120, viral entry and HIV infection. | |||||||||||||||||||||
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- [1]. Curreli F, et al. Synthesis, Antiviral Potency, in Vitro ADMET, and X-ray Structure of Potent CD4 Mimics as Entry Inhibitors That Target the Phe43 Cavity of HIV-1 gp120. Journal of medicinal chemistry. 2017 Apr 13;60(7):3124-3153. [Content Brief]
- [2]. Curreli F, et al. Structure-based lead optimization to improve antiviral potency and ADMET properties of phenyl-1H-pyrrole-carboxamide entry inhibitors targeted to HIV-1 gp120. Eur J Med Chem. 2018.
- [3]. Curreli F, et al. Structure-Based Design of a Small Molecule CD4-Antagonist with Broad Spectrum Anti-HIV-1 Activity. Journal of medicinal chemistry. 2015 Sep 10;58(17):6909-6927. [Content Brief]
- [4]. Curreli F, et al. Preclinical Optimization of gp120 Entry Antagonists as anti-HIV-1 Agents with Improved Cytotoxicity and ADME Properties through Rational Design, Synthesis, and Antiviral Evaluation. Journal of medicinal chemistry. 2020 Feb 27;63(4):1724-1749. [Content Brief]
Keywords
