AT-9010 triethylamine

Category	SARS-CoV
CAS	2648089-95-4
Description	The active triphosphate metabolite AT-9010 can inhibit SARS-CoV-2 replication.

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Synonyms	UNII-IR49Q7E87C triethylamine
IUPAC Name	[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate,triethylamine
Molecular Weight	943.96
Molecular Formula	C35H77FN9O13P3
Canonical SMILES	CCN(CC)CC.CC1(C(C(OC1N2C=NC3C2=NC(=N)NC3=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F
InChI	InChI=1S/C11H17FN5O13P3.C6H15N/c1-11(12)6(18)4(2-27-32(23,24)30-33(25,26)29-31(20,21)22)28-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19;1-4-7(5-2)6-3/h3-6,9,18H,2H2,1H3,(H,23,24)(H,25,26)(H2,13,16,19)(H2,20,21,22);4-6H2,1-3H3/t4-,5?,6-,9-,11-;/m1./s1
InChIKey	IZZBJQQXPMZLRV-VGJFTDQKSA-N
Purity	≥98% (HPLC)
Solubility	In vitro: 10 mM in DMSO
Appearance	Solid powder
Storage	Store at -20°C
In Vitro	Substantial levels of the active triphosphate metabolite AT-9010 are formed in normal human bronchial and nasal epithelial cells incubated with 10 µM AT-511 (698 µM and 236 µM, respectively), with a half-life of at least 38 hours.
In Vivo	AT-9010-triethylamine is used as a type of inhibitor of SARS-CoV type 2.
Target	NiRAN