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Cap-dependent endonuclease-IN-21

CAT: 0013-GTR19184926-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184926-01Size:25 mg
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Description
Cap-dependent endonuclease-IN-21 is a potent small molecule inhibitor of cap-dependent endonucleases (CEN) with demonstrated anti-influenza A virus activity. It serves as a valuable research tool for studying viral replication mechanisms in both in vitro and in vivo experimental models.
CAS Number
2741952-35-0
Field of Research
Infectious Disease & Virology
Smiles
CN1[C@]2 (N ([C@@H] (C=3C (=CC (F) =C (F) C3) OCC2) C4=CC=CC=C4) N5C (=C (OCOC (OC) =O) C (=O) C=C5) C1=O) [H]
Molecular Formula
C26H23F2N3O7
Molecular Weight
527.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cap-dependent endonuclease-IN-21
CAS Number2741952-35-0
PubChem CID163196343
IUPAC Name[(2R,12S)-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+/m0/s1
InChIKey
NKFNQBUTOXCBGL-FCHUYYIVSA-N
Chemical Structure
2D Structure
2D structure of Cap-dependent endonuclease-IN-21
CAS: 2741952-35-0
CID: 163196343
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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T63702-01Cap-dependent endonuclease-IN-21
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