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AG-7404

CAT: 0013-GTR19215573-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215573-01Size:25 mg
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Description
AG-7404 is a potent, broad-spectrum protease inhibitor effective against poliovirus, including V-073-resistant variants, with low micromolar EC50 values. It is a valuable research tool for studying enterovirus replication and has demonstrated antiviral activity in both in vitro and cell-based assays.
CAS Number
343565-99-1
Field of Research
Infectious Disease & Virology
Smiles
[C@@H] (C (N[C@@H] (C[C@H]1C (=O) NCC1) /C=C/C (OCC) =O) =O) (CC#C) N2C (=O) C (NC (=O) C3=NOC (C) =C3) =CC=C2
Molecular Formula
C26H29N5O7
Molecular Weight
523.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

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

Imocitrelvir is a small molecule drug. The usage of the INN stem '-trelvir' in the name indicates that Imocitrelvir is a antiviral 3CL protease inhibitor. Imocitrelvir has a monoisotopic molecular weight of 523.21 Da.

CAS Number343565-99-1
PubChem CID5280053
IUPAC Nameethyl (E,4S)-4-[[(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-1-pyridinyl]pent-4-ynoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Molecular FormulaC26H29N5O7
Molecular Weight523.5
XLogP0.9
Topological Polar Surface Area160
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count38
Formal Charge0
Complexity1090
SMILES
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC#C)N2C=CC=C(C2=O)NC(=O)C3=NOC(=C3)C
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
Chemical Structure
2D Structure
2D structure of 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
CAS: 343565-99-1
CID: 5280053
Formula: C26H29N5O7
MW: 523.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.5
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass523.20669828
Monoisotopic Mass523.20669828
Topological Polar Surface Area160 Ų
Heavy Atom Count38
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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