158268-42-9
158268-42-9
Chemical Structure
MDL-104168
- CAS No.: 158268-42-9
- Formula:C27H30F2N4O6
- Molecular Weight:544.56
IUPAC Name: N-benzyl-2,2-difluoro-3-((9S,12S)-9-isopropyl-4,7,10-trioxo-2-oxa-5,8,11-triaza-1(1,4)-benzenacyclotridecaphane-12-yl)-3-oxopropanamide
InChIKey: FENHLDPCCNRQQC-REWPJTCUSA-N
SMILES: C(C(C(NCC1=CC=CC=C1)=O)(F)F)(=O)[C@@H]2CC=3C=CC(=CC3)OCC(=O)NCC(=O)N[C@@H]([C@@H](C)C)C(=O)N2
Biological Activity: MDL-104168 is a macrocyclic peptide mimetic HIV protease inhibitor (human IC50: 2 nM; Ki: 20 nM). MDL-104168 can be used for the research of human immunodeficiency virus infection[1][2].
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MDL-104168 | MDL-104168 is a macrocyclic peptide mimetic HIV protease inhibitor (human IC50: 2 nM; Ki: 20 nM). MDL-104168 can be used for the research of human immunodeficiency virus infection. | |||||||||||||||||||||
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References
- [1]. Neshat Rozatian, et al. Fluorine-containing macrocyclic peptides and peptidomimetics. Org. Chem. Front. 2025; 12 (17): 4871–4895.
- [2]. Podlogar BL, et al. Design, synthesis, and conformational analysis of a novel macrocyclic HIV-protease inhibitor. Journal of medicinal chemistry. 1994 Oct 28;37(22):3684-92. [Content Brief]
Keywords
