AG-7404

Category	Virus Protease
CAS	343565-99-1
Description	AG-7404 is an inhibitor of picornaviral 3C protease against a large panel of programmatically important poliovirus strains. AG-7404 was fully active against all V-073-resistant variants with EC50 values ranging from 0.218 to 0.819 μM.

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Synonyms	AG-7404;343565-99-1;VQ1AN3OO42;imocitrelvir;UNII-VQ1AN3OO42;V-7404;AG7404;AG 7404;ethyl (E,4S)-4-[[(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxopyridin-1-yl]pent-4-ynoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;(S,E)-ethyl 4-((S)-2-(3-(5-methylisoxazole-3-carboxamido)-2-oxopyridin-1(2H)-yl)pent-4-ynamido)-5-((S)-2-oxopyrrolidin-3-yl)pent-2-enoate;imocitrelvir [INN];CHEMBL141157;SCHEMBL20687394;GTPL13223;AKOS040747777;compound 1 [PMID: 23499651];HY-19476;PD140468;CS-0015577;V7404;(E)-(S)-4-((S)-2-{3-[(5-Methyl-isoxazole-3-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-pent-4-yloylamino)-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester;2-PENTENOIC ACID, 4-(((2S)-2-(3-(((5-METHYL-3-ISOXAZOLYL)CARBONYL)AMINO)-2-OXO-1(2H)-PYRIDINYL)-1-OXO-4-PENTYN-1-YL)AMINO)-5-((3S)-2-OXO-3-PYRROLIDINYL)-, ETHYL ESTER, (2E,4S)-;ethyl (2E,4S)-4-{(2S)-2-[3-(5-methyl-1,2-oxazole-3-carboxamido)-2-oxopyridin-1(2H)-yl]pent-4-ynamido}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[3-[(5-methylisoxazole-3-carbonyl)amino]-2-oxo-1-pyridyl]pent-4-ynoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;
IUPAC Name	ethyl (E,4S)-4-[[(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxopyridin-1-yl]pent-4-ynoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Molecular Weight	621.12
Molecular Formula	C12H11FN5Na4O12P3
Canonical SMILES	C#C[C@]1([C@H](C[C@@H](O1)N2C=NC3=C(N=C(N=C32)F)N)O)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChI	InChI=1S/C26H29N5O7/c1-4-7-21(31-13-6-8-19(26(31)36)29-24(34)20-14-16(3)38-30-20)25(35)28-18(9-10-22(32)37-5-2)15-17-11-12-27-23(17)33/h1,6,8-10,13-14,17-18,21H,5,7,11-12,15H2,2-3H3,(H,27,33)(H,28,35)(H,29,34)/b10-9+/t17-,18+,21-/m0/s1
InChIKey	QCUZOJBYWQPLIN-BNMFZAHFSA-N
Purity	98% by HPLC
Appearance	Solid Powder
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.