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Cap-dependent endonuclease-IN-19

CAT: 0804-HY-144065Size: 1 EachDry Ice: NoHazardous: No
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Description
Cap-dependent endonuclease-IN-19 is a potent inhibitor of cap-dependent endonuclease (CEN) . Cap-dependent endonuclease-IN-19 is a spirocyclic pyridone derivative. Cap-dependent endonuclease-IN-19 has strong inhibitory effect on RNA polymerase activity of A virus (extracted from patent CN111410661A, compound 1) [1].
CAS Number
2567929-06-8
UNSPSC
12352005
Target
Influenza Virus
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/cap-dependent-endonuclease-in-19.html
Solubility
10 mM in DMSO
Smiles
O=C1C=CN2C(C(N(C3(CCCCC3)N2C(C4=CC=CC=C4)C5=CC=CC=C5)CCOC)=O)=C1O
Molecular Formula
C28H31N3O4
Molecular Weight
473.56
References & Citations
[1]Wenteng Chen, et al. Spiropyridone derivatives and their applications. Patent CN112047945B.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Cap-dependent endonuclease-IN-19
CAS Number2567929-06-8
PubChem CID162372301
IUPAC Name1'-benzhydryl-5'-hydroxy-3'-(2-methoxyethyl)spiro[cyclohexane-1,2'-pyrido[2,1-f][1,2,4]triazine]-4',6'-dione
Molecular FormulaC28H31N3O4
Molecular Weight473.6
XLogP5.1
Topological Polar Surface Area73.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity832
SMILES
COCCN1C(=O)C2=C(C(=O)C=CN2N(C13CCCCC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O
InChI
InChI=1S/C28H31N3O4/c1-35-20-19-29-27(34)25-26(33)23(32)15-18-30(25)31(28(29)16-9-4-10-17-28)24(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-3,5-8,11-15,18,24,33H,4,9-10,16-17,19-20H2,1H3
InChIKey
PZXLRBVTCCFKGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cap-dependent endonuclease-IN-19
CAS: 2567929-06-8
CID: 162372301
Formula: C28H31N3O4
MW: 473.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.6
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass473.23145648
Monoisotopic Mass473.23145648
Topological Polar Surface Area73.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity832
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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