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Cap-dependent endonuclease-IN-7

CAT: 0804-HY-143750Size: 1 EachDry Ice: NoHazardous: No
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Description
Cap-dependent endonuclease-IN-7 is a potent inhibitor of cap-dependent endonuclease (CEN) . Cap-dependent endonuclease-IN-7 Inhibits the synthesis of viral mRNA and eventually inhibits virus proliferation. Cap-dependent endonuclease-IN-7 has the potential for the research of viral infections (including influenza A, influenza B and influenza C) (extracted from patent WO2020177715A1, compound 5) [1]
CAS Number
2485715-97-5
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-7.html
Solubility
10 mM in DMSO
Smiles
O=C(OC)OCOC(C(C=C1)=O)=C(N1N([C@H](C2=CC=CC=C23)C4=CC=C(F)C=C4C5=C3SC(C6=CC=CC=C6)=C5)[C@@]7([H])N8CCOC7)C8=O
Molecular Formula
C36H28FN3O7S
Molecular Weight
665.69
References & Citations
[1]Qingyun Ren, et al. Influenza virus replication inhibitor and use thereof. Patent WO2020177715A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Cap-dependent endonuclease-IN-7
CAS Number2485715-97-5
PubChem CID163196316
IUPAC Name[(3R)-2-[(13S)-9-fluoro-4-phenyl-3-thiatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaen-13-yl]-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate
Molecular FormulaC36H28FN3O7S
Molecular Weight665.7
XLogP6.3
Topological Polar Surface Area126
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count48
Formal Charge0
Complexity1320
SMILES
COC(=O)OCOC1=C2C(=O)N3CCOC[C@H]3N(N2C=CC1=O)[C@H]4C5=C(C=C(C=C5)F)C6=C(C7=CC=CC=C47)SC(=C6)C8=CC=CC=C8
InChI
InChI=1S/C36H28FN3O7S/c1-44-36(43)47-20-46-33-28(41)13-14-39-32(33)35(42)38-15-16-45-19-30(38)40(39)31-23-9-5-6-10-25(23)34-27(26-17-22(37)11-12-24(26)31)18-29(48-34)21-7-3-2-4-8-21/h2-14,17-18,30-31H,15-16,19-20H2,1H3/t30-,31-/m1/s1
InChIKey
WNRPSAKVRGSUJM-FIRIVFDPSA-N
Chemical Structure
2D Structure
2D structure of Cap-dependent endonuclease-IN-7
CAS: 2485715-97-5
CID: 163196316
Formula: C36H28FN3O7S
MW: 665.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight665.7
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass665.16319958
Monoisotopic Mass665.16319958
Topological Polar Surface Area126 Ų
Heavy Atom Count48
Formal Charge0
Complexity1320
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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Alternative Products

CatalogName
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