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Cap-dependent endonuclease-IN-16

CAT: 0931-T64138-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T64138-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2643370-92-5
Target
Others, Influenza Virus
Related Pathways
Others, Microbiology/Virology
Bioactivity
Cap-dependent endonuclease-IN-16, a pyridone polycyclic derivative, is a potent inhibitor of cap-dependent nucleic acid endonucleases (CEN) with potential applications in influenza studies.
Smiles
O(COC(OC)=O)C1=C2N(N([C@]3(N(C2=O)CCOC3)[H])[C@H]4C=5C(C(C)SC=6C4=CC=CC6)=C(F)C(F)=CC5)C=CC1=O
Molecular Formula
C28H25F2N3O7S
Molecular Weight
585.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cap-dependent endonuclease-IN-16
CAS Number2643370-92-5
PubChem CID163196323
IUPAC Name[(3R)-2-[(11S)-7,8-difluoro-6-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-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 FormulaC28H25F2N3O7S
Molecular Weight585.6
XLogP4.2
Topological Polar Surface Area123
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity1120
SMILES
CC1C2=C(C=CC(=C2F)F)[C@@H](C3=CC=CC=C3S1)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)OCOC(=O)OC
InChI
InChI=1S/C28H25F2N3O7S/c1-15-22-17(7-8-18(29)23(22)30)24(16-5-3-4-6-20(16)41-15)33-21-13-38-12-11-31(21)27(35)25-26(19(34)9-10-32(25)33)39-14-40-28(36)37-2/h3-10,15,21,24H,11-14H2,1-2H3/t15?,21-,24-/m1/s1
InChIKey
MMACUBSSWNDPDF-LXLDGUEBSA-N
Chemical Structure
2D Structure
2D structure of Cap-dependent endonuclease-IN-16
CAS: 2643370-92-5
CID: 163196323
Formula: C28H25F2N3O7S
MW: 585.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight585.6
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass585.13812764
Monoisotopic Mass585.13812764
Topological Polar Surface Area123 Ų
Heavy Atom Count41
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-143770Cap-dependent endonuclease-IN-16
HY-143775Cap-dependent endonuclease-IN-20
HY-144067Cap-dependent endonuclease-IN-23
HY-143757Cap-dependent endonuclease-IN-10
HY-144068Cap-dependent endonuclease-IN-25
HY-143768Cap-dependent endonuclease-IN-14
HY-143750Cap-dependent endonuclease-IN-7
HY-143749Cap-dependent endonuclease-IN-6
HY-162242Cap-dependent endonuclease-IN-27
MBS5816273Cap-dependent endonuclease-IN-12

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