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Cap-dependent endonuclease-IN-1

CAT: 0931-T63808-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T63808-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2365473-17-0
Target
Influenza Virus, Others
Related Pathways
Microbiology/Virology, Others
Purity
0.9961
Bioactivity
Cap-dependent endonuclease-IN-1 is a highly potent, orally active cap-dependent endonuclease inhibitor with antiviral activity for studying influenza virus infection.
Smiles
O=C1C2(CN(N3C1=C(OCOC(OC)=O)C(=O)C=C3)[C@H]4C=5C(CSC=6C4=CC=CC6)=C(F)C(F)=CC5)CC2
Molecular Formula
C27H22F2N2O6S
Molecular Weight
540.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cap-dependent endonuclease-IN-1

Pixavir marboxil is a small molecule drug. The usage of the INN stem '-xavir' in the name indicates that Pixavir marboxil is a influenza CAP-dependent endonuclease inhibitor. Pixavir marboxil has a monoisotopic molecular weight of 540.12 Da.

CAS Number2365473-17-0
PubChem CID139338844
IUPAC Name[1-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-4,6-dioxospiro[2H-pyrido[1,2-b]pyridazine-3,1'-cyclopropane]-5-yl]oxymethyl methyl carbonate
Molecular FormulaC27H22F2N2O6S
Molecular Weight540.5
XLogP4.6
Topological Polar Surface Area111
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity1060
SMILES
COC(=O)OCOC1=C2C(=O)C3(CC3)CN(N2C=CC1=O)[C@H]4C5=C(CSC6=CC=CC=C46)C(=C(C=C5)F)F
InChI
InChI=1S/C27H22F2N2O6S/c1-35-26(34)37-14-36-24-19(32)8-11-30-23(24)25(33)27(9-10-27)13-31(30)22-15-6-7-18(28)21(29)17(15)12-38-20-5-3-2-4-16(20)22/h2-8,11,22H,9-10,12-14H2,1H3/t22-/m0/s1
InChIKey
XNCHLCOISMLPJG-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of Cap-dependent endonuclease-IN-1
CAS: 2365473-17-0
CID: 139338844
Formula: C27H22F2N2O6S
MW: 540.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.5
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass540.11666392
Monoisotopic Mass540.11666392
Topological Polar Surface Area111 Ų
Heavy Atom Count38
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count1
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
BUP02258-01Cap-dependent endonuclease-IN-1
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-143749Cap-dependent endonuclease-IN-6
HY-162242Cap-dependent endonuclease-IN-27
HY-143768Cap-dependent endonuclease-IN-14
HY-143750Cap-dependent endonuclease-IN-7
MBS5816273Cap-dependent endonuclease-IN-12

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