Emtricitabine

Category	Human immunodeficiency Virus (HIV)
CAS	143491-57-0
Description	Emtricitabine moderately reduces hepatocyte proliferation independent of effects on mtDNA in HepG2 human hepatoma cells.

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Product Information

Synonyms	Emtricitabine; Coviracil; Emtriva; Racivir; (-)-FTC; W-201247; W-201248; E1007; 24229-EP2298783A1; 24229-EP2314590A1; AB01275429-01; 3B2-0188
IUPAC Name	4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
Molecular Weight	247.25
Molecular Formula	C8H10FN3O3S
Canonical SMILES	C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)F
InChI	InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1
InChIKey	XQSPYNMVSIKCOC-NTSWFWBYSA-N
Boiling Point	443.3±55.0 °C at 760 mmHg
Melting Point	153-155°C
Flash Point	221.9±31.5 °C
Purity	>98%
Density	1.8±0.1 g/cm3
Solubility	In Vitro: DMSO: 10.8 mg/mL (43.68 mM; Need ultrasonic and warming) In Vivo: 1.Emtricitabine (FTC) is prepare in vehicle (DMSO and 0.9% NaCl)
Appearance	White to off-white powder
Storage	Powder: -20°C: 3 years; 4°C: 2 years In solvent: -80°C: 6 months; -20°C: 1 month
Animal Admin	Mice: Emtricitabine is suspended in 0.5% aqueous methylcellulose and given by gavage, with the daily dose divided into two equal installments administered approximately 6 h apart. In 1- and 6-month oral toxicity studies in mice, the maximum tolerated dose of emtricitabine is >3000 mg/kg/day.
Complexity	374
Exact Mass	247.04269053
Index Of Refraction	1.731
In Vitro	Emtricitabine has in vitro activity against both laboratory strains of HIV-1 and HIV-2 and clinical isolates of HIV-1. The 50% effective concentration (EC50) ranges from 0.002 to 1.5 µ mol/L, depending on the viral isolate and cell line used. Emtricitabine demonstrates in vitro synergy with zidovudine and stavudine and additive in vitro activity when combines with zalcitabine or didanosine.
In Vivo	Reproductive and developmental toxicology studies are conducted with emtricitabine. Emtricitabine had no effect on fertility, sperm count, or early embryonic development. In addition, there is no increased incidence of malformations in mouse and rabbit embryofetal toxicology studies. These data demonstrate a favorable pre-clinical reproductive safety profile for emtricitabine.
PSA	115.67000
Target	HIV; Reverse Transcriptase. EC50: 0.01 µM (NRTI, PBMC), 0.026 µM (NRTI, HeLa cell)
Vapor Pressure	0.0±2.4 mmHg at 25°C
XLogP3-AA	-0.6