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Merafloxacin

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Category SARS-CoV
CAS 91188-00-0
Description Merafloxacin is a fluoroquinolone antibacterial agent, which inhibits -1 frameshifting efficiency of beta coronaviruses including SARS-CoV-2.
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Product Information

Synonyms CI 934; CI-934; CI934
IUPAC Name 1-ethyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Molecular Weight 379.40
Molecular Formula C19H23F2N3O3
Canonical SMILES CCNCC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CC)F
InChI InChI=1S/C19H23F2N3O3/c1-3-22-8-11-5-6-24(9-11)17-14(20)7-12-16(15(17)21)23(4-2)10-13(18(12)25)19(26)27/h7,10-11,22H,3-6,8-9H2,1-2H3,(H,26,27)
InChIKey BAYYCLWCHFVRLV-UHFFFAOYSA-N
Boiling Point 545.8°C at 760mmHg
Purity 95%
Density 1.304g/cm3
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 615
Exact Mass 379.17074793
In Vitro Merafloxacin (5-80 μM) dose-dependently inhibits programmed -1 ribosomal frameshifting (-1 PRF) of SARS-CoV-2, SARS-CoV, hCoVO-C43, and hCoV-HKU1, with IC50s of 19.6 μM, 19.5 μM, 29.7 μM, and 38.6 μM, respectively.
PSA 74.57000
Target IC50: 19.6 μM (SARS-CoV-2)
XLogP3-AA -0.1

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