Remdesivir

Category	SARS-CoV
CAS	1809249-37-3
Description	Remdesivir, an analog nucleotide inhibitor, with effectively antiviral activity in vitro against various virus, including Ebola virus, Marburg virus, HCoV-NL63, HCoV-OC43, HCoV-229E, Mouse hepatitis virus (MHV), SARS-CoV, MERS-CoV and related bat coronavirus, HKU5, and PDCoV (porcine delta-coronavirus). Remdesivir is also reported to have potential antiviral activity against a 2019 novel coronavirus (called 2019-nCoV, nCoV2019 or COVID-19).

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Synonyms	GS-5734; 2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Molecular Weight	602.59
Molecular Formula	C27H35N6O8P
Canonical SMILES	CCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4
InChI	InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1
InChIKey	RWWYLEGWBNMMLJ-YSOARWBDSA-N
Purity	99.78%
Density	1.5±0.1 g/cm3
Solubility	In vitro: 10 mM in DMSO
Appearance	Off-white to yellow (Solid)
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Complexity	1010
Exact Mass	602.22539909
Index Of Refraction	1.652
In Vitro	Remdesivir (GS-5734) inhibits murine hepatitis virus (MHV) with an EC50 of 30 nM, and blocks SARS-CoV and MERS-CoV in HAE cells with EC50s of both 74 nM in HAE cells after treatment for 24 h.
Target	EC50: 30 nM (murine hepatitis virus, delayed brain tumor cell), 74 nM (SARS-CoV, HAE cell), 74 nM (MERS-CoV, HAE cell) EC50: 3.3 μM (SARS-CoV-2), 4.7 μM (SARS-CoV-2 alpha), 32 μM (SARS-CoV-2 beta), 3.7 μM (SARS-CoV-2 gamma) and 9.2 μM (SARS-CoV-2 delta).
XLogP3-AA	1.9