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Cap-dependent endonuclease-IN-23

CAT: 0804-HY-144067Size: 1 EachDry Ice: NoHazardous: No
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Description
Cap-dependent endonuclease-IN-23 is a potent inhibitor of cap-dependent endonuclease (CEN) . Cap-dependent endonuclease-IN-23 inhibits the replication of influenza virus. ap-dependent endonuclease-IN-23 has the potential for the research of influenza virus infection (influenza A) (extracted from patent WO2021233302A1, compound 8A or 8B) [1].
CAS Number
2741952-36-1
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-23.html
Solubility
10 mM in DMSO
Smiles
CN1[C@]2([H])N(N3C(C1=O)=C(C(C=C3)=O)OCOC(OC)=O)[C@](C4=CC=CC=C4)([H])C5=CC(F)=C(F)C=C5OCC2
Molecular Formula
C26H23F2N3O7
Molecular Weight
527.47
References & Citations
[1]Shuhui Chen, et al. Fused ring derivatives and their pharmaceutical applications. Patent WO2021233302A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Cap-dependent endonuclease-IN-23
CAS Number2741952-36-1
PubChem CID163196344
IUPAC Name[(2S,12R)-5,6-difluoro-13-methyl-14,17-dioxo-2-phenyl-9-oxa-1,13,20-triazatetracyclo[10.8.0.03,8.015,20]icosa-3,5,7,15,18-pentaen-16-yl]oxymethyl methyl carbonate
Molecular FormulaC26H23F2N3O7
Molecular Weight527.5
XLogP4.2
Topological Polar Surface Area97.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity1000
SMILES
CN1[C@H]2CCOC3=CC(=C(C=C3[C@@H](N2N4C=CC(=O)C(=C4C1=O)OCOC(=O)OC)C5=CC=CC=C5)F)F
InChI
InChI=1S/C26H23F2N3O7/c1-29-21-9-11-36-20-13-18(28)17(27)12-16(20)22(15-6-4-3-5-7-15)31(21)30-10-8-19(32)24(23(30)25(29)33)37-14-38-26(34)35-2/h3-8,10,12-13,21-22H,9,11,14H2,1-2H3/t21-,22+/m1/s1
InChIKey
NKFNQBUTOXCBGL-YADHBBJMSA-N
Chemical Structure
2D Structure
2D structure of Cap-dependent endonuclease-IN-23
CAS: 2741952-36-1
CID: 163196344
Formula: C26H23F2N3O7
MW: 527.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.5
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass527.15040641
Monoisotopic Mass527.15040641
Topological Polar Surface Area97.9 Ų
Heavy Atom Count38
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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