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Emtricitabine

CAT: 0013-GTR19172069-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172069-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Emtricitabine is a potent nucleoside reverse transcriptase inhibitor (NRTI) effective against HIV and HBV, demonstrating an EC50 of 0.01 μM in PBMC assays. It is widely used in both in vitro virology studies and in vivo models to investigate antiviral mechanisms and therapeutic strategies for retroviral infections.
CAS Number
143491-57-0
Product Name Alternative
ReverseTranscriptase, Reverse Transcriptase, BW 1592, BW1592, BW-1592, Inhibitor, inhibit, Human immunodeficiency virus, HIVProtease, HIV Protease, HIV, Emtricitabine, Emtriva, FTC
Field of Research
Infectious Disease & Virology, Metabolism Research, Pharmacology & Drug Discovery, Protein Biochemistry
Purity
99.15% (May vary between batches)
Solubility
DMSO:237 mg/mL (958.54 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (20.22 mM)
Smiles
Nc1nc (=O) n (cc1F) [C@@H]1CS[C@H] (CO) O1
Molecular Formula
C8H10FN3O3S
Molecular Weight
247.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Emtricitabine

Emtricitabine is an organofluorine compound that is 5-fluorocytosine substituted at the 1 position by a 2-(hydroxymethyl)-1,3-oxathiolan-5-yl group (2R,5S configuration). It is used in combination therapy for the treatment of HIV-1 infection. It has a role as an antiviral drug and a HIV-1 reverse transcriptase inhibitor. It is an organofluorine compound, a pyrimidone, a monothioacetal and a nucleoside analogue.

CAS Number143491-57-0
PubChem CID60877
IUPAC Name4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
Molecular FormulaC8H10FN3O3S
Molecular Weight247.25
XLogP-0.6
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity374
SMILES
C1[C@H](O[C@H](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
Chemical Structure
2D Structure
2D structure of Emtricitabine
CAS: 143491-57-0
CID: 60877
Formula: C8H10FN3O3S
MW: 247.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.25
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass247.04269053
Monoisotopic Mass247.04269053
Topological Polar Surface Area113 Ų
Heavy Atom Count16
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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