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Ibacitabine

CAT: 0013-GTR19173638-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173638-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ibacitabine is a synthetic nucleoside analog with antiviral activity, primarily used as a building block in the construction of DNA oligomers. Its applications include research into antiviral mechanisms and nucleic acid biochemistry in both in vitro enzymatic studies and cellular assays.
CAS Number
611-53-0
Product Name Alternative
AI3-62629, Ibacitabin, Ibacitabine, IDC, Inhibitor, inhibit
Field of Research
Pharmacology & Drug Discovery
Purity
99.88% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.83 mM) ; DMSO:55 mg/mL (155.76 mM)
Smiles
Nc1nc (=O) n (cc1I) [C@H]1C[C@H] (O) [C@@H] (CO) O1
Molecular Formula
C9H12IN3O4
Molecular Weight
353.11
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ibacitabine

Ibacitabine is a pyrimidine 2'-deoxyribonucleoside.

CAS Number611-53-0
PubChem CID65050
IUPAC Name4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Molecular FormulaC9H12IN3O4
Molecular Weight353.11
XLogP-0.7
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity398
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)CO)O
InChI
InChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
InChIKey
WEVJJMPVVFNAHZ-RRKCRQDMSA-N
Chemical Structure
2D Structure
2D structure of Ibacitabine
CAS: 611-53-0
CID: 65050
Formula: C9H12IN3O4
MW: 353.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.11
XLogP3-0.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass352.98725
Monoisotopic Mass352.98725
Topological Polar Surface Area108 Ų
Heavy Atom Count17
Formal Charge0
Complexity398
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-W011138-01Ibacitabine

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