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Obeldesivir

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Category SARS-CoV
CAS 2647441-36-7
Description Obeldesivir is an oral prodrug of the parent nucleoside GS-441524, which targets the highly conserved RNA-dependent viral RNA polymerase (RdRp).
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Product Information

Synonyms ATV006; ATV 006; ATV-006
IUPAC Name [(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methyl 2-methylpropanoate
Molecular Weight 361.25
Molecular Formula C16H19N5O5
Canonical SMILES CC(C)C(=O)OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O
InChI InChI=1S/C16H19N5O5/c1-8(2)15(24)25-5-10-12(22)13(23)16(6-17,26-10)11-4-3-9-14(18)19-7-20-21(9)11/h3-4,7-8,10,12-13,22-23H,5H2,1-2H3,(H2,18,19,20)/t10-,12-,13-,16+/m1/s1
InChIKey YIHPGVCWGSURHO-VSBTWAGUSA-N
Purity 98% by HPLC
Solubility In Vitro:
DMSO : 250 mg/mL(691.85 mM;Need ultrasonic)
Appearance White to off-white (Solid)
Storage 4°C, protect from light
* In solvent :
-80°C, 6 months
-20°C, 1 month (protect from light)
Complexity 595
Exact Mass 361.13861872
In Vitro ATV006 (0.001-100 μM; 48 h; Vero E6 cells) inhibits the replication of authentic SARS-CoV-2 and its variants of concern
ATV006 has an overall >4-fold and >12-fold potency improvement in inhibiting the replication of Delta and Omicron variants, with EC50 values of 0.349 μM and 0.106 μM, respectively
MCE has not independently confirmed the accuracy of these methods. They are for reference only
In Vivo ATV006 (5-25 mg/kg; p.o. and i.v.; Sprague Dawley rats) has favorable pharmacokinetic profiles in rats with high oral bioavailability (F %) of 81.5% and maximum blood concentration (Cmax) of 8.2 μM.
In Vivo ATV006 (0.001-100 μM; 48 h; Vero E6 cells) inhibits the replication of authentic SARS-CoV-2 and its variants of concern.
Target SARS-CoV
XLogP3-AA -0.3

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