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Antiviral agent 23

CAT: 0013-GTR19212704-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212704-01Size:25 mg
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Description
Antiviral Agent 23 is a potent small molecule inhibitor of enterovirus 71 (EV71) infection, demonstrating an EC50 of 94 nM. It also effectively suppresses the methyltransferase activity of the METTL3/METTL14 complex, making it a valuable research tool for studying viral pathogenesis and RNA epitranscriptomics in vitro.
CAS Number
35940-03-5
Field of Research
Infectious Disease & Virology
Smiles
N (CC1=CC (C) =CC=C1) C2=C3C (N (C=N3) [C@@H]4O[C@H] (CO) [C@@H] (O) [C@H]4O) =NC=N2
Molecular Formula
C18H21N5O4
Molecular Weight
371.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(m-tolylmethylamino)purin-9-yl]tetrahydrofuran-3,4-diol
CAS Number35940-03-5
PubChem CID10339188
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(3-methylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
Molecular FormulaC18H21N5O4
Molecular Weight371.4
XLogP1.5
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity500
SMILES
CC1=CC(=CC=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C18H21N5O4/c1-10-3-2-4-11(5-10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
InChIKey
WBJVJFOITZTVRG-SCFUHWHPSA-N
Chemical Structure
2D Structure
2D structure of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(m-tolylmethylamino)purin-9-yl]tetrahydrofuran-3,4-diol
CAS: 35940-03-5
CID: 10339188
Formula: C18H21N5O4
MW: 371.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.4
XLogP31.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass371.15935417
Monoisotopic Mass371.15935417
Topological Polar Surface Area126 Ų
Heavy Atom Count27
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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