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Antiviral agent 23

CAT: 0804-HY-151924Size: 1 EachDry Ice: NoHazardous: No
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Description
Antiviral agent 23 (compound 11b) is an antiviral agent to enterovirus 71 (EV71) with an EC50 value of 94 nM. Antiviral agent 23 effectively suppresses the activity of METTL3/METTL14. Antiviral agent 23 can be used for the research of infection[1].
CAS Number
35940-03-5
UNSPSC
12352005
Target
Enterovirus
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/antiviral-agent-23.html
Solubility
10 mM in DMSO
Smiles
OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](N2C(N=CN=C3NCC4=CC=CC(C)=C4)=C3N=C2)O1
Molecular Formula
C18H21N5O4
Molecular Weight
371.39
References & Citations
[1]Salerno M, et al. Rational design of novel nucleoside analogues reveals potent antiviral agents for EV71. Eur J Med Chem. 2022 Nov 24;246:114942.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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