| Identification | Back Directory | [Name]
LysRs-IN-2 | [CAS]
2170696-76-9 | [Synonyms]
LysRs-IN-2
LysRs inhibitor 2
LysRsIN2,LysRs IN 2
4H-1-Benzopyran-2-carboxamide, N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-6-fluoro-4-oxo- | [Molecular Formula]
C17H16F3NO4 | [MDL Number]
MFCD32062826 | [MOL File]
2170696-76-9.mol | [Molecular Weight]
355.31 |
| Chemical Properties | Back Directory | [Boiling point ]
531.1±50.0 °C(Predicted) | [density ]
1.44±0.1 g/cm3(Predicted) | [storage temp. ]
4°C, stored under nitrogen | [solubility ]
DMSO : ≥ 60 mg/mL (168.87 mM) | [form ]
Solid | [pka]
13.42±0.40(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
LysRs-IN-2 is a lysyl-tRNA synthetase (KRS) inhibitor with IC50s of 0.015 μM and 0.13 μM for Plasmodium falciparum lysyl-tRNA synthetase (PfKRS) and Cryptosporidium parvum lysyl-tRNA synthetase (CpKRS), respectively[1]. | [in vivo]
LysRs-IN-2 (1.5 mg/kg; orally once a day for 4 days) reduces parasitemia by 90% in the murine P. falciparum SCID model. LysRs-IN-2 (20 mg/kg; orally once a day for 7 days) reduces parasite shedding in NOD SCID gamma mice and INF-γ-knockout mice (Cryptosporidium mouse models)[1]. | Animal Model: | Murine P. falciparum NODscidIL2Rγnull (SCID) model[1] | | Dosage: | 1.5 mg/kg | | Administration: | Orally once a day for 4 days | | Result: | Reduced parasitemia by 90% in the malaria SCID mouse model. |
| Animal Model: | NOD SCID gamma and INF-γ–knockout mouse models (Cryptosporidium mouse models)[1] | | Dosage: | 20 mg/kg | | Administration: | Orally once a day for 7 days | | Result: | Reduced parasite shedding below detection level, and this reduction was sustained for 3 wk after treatment had stopped in INF-γ-knockout mice.
Dosed orally at a concentration of 20 mg/kg once a day for 7 days showed 96% reduction of parasite shedding comparable to paromomycin in NOD SCID gamma mice. |
| [storage]
4°C, stored under nitrogen | [References]
[1] Baraga?a B, et al. Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc Natl Acad Sci U S A. 2019 Apr 2;116(14):7015-7020. DOI:10.1073/pnas.1814685116 |
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