Description

Ibacitabine (CAS 611-53-0) is a nucleoside analog with the molecular formula C₉H₁₂IN₃O₄ and IUPAC name 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one. This biologically active compound is a modified cytidine derivative, where the 5-position of the pyrimidine ring is substituted with an iodine atom. Ibacitabine is provided as a high-purity solid suitable for research applications, with rigorous quality control to ensure batch-to-batch consistency. The compound shows potential as an antiviral and antitumor agent due to its ability to interfere with nucleic acid synthesis. Researchers can utilize this product in studies involving nucleoside metabolism, DNA/RNA interactions, and the development of novel therapeutic agents. Store at -20°C protected from light and moisture to maintain stability.

Properties

• CAS Number: 611-53-0
• Complexity: 398
• IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidin-2-one
• 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
• InChI Key: WEVJJMPVVFNAHZ-RRKCRQDMSA-N
• Exact Mass: 352.98725
• Molecular Formula: C9H12IN3O4
• Molecular Weight: 353.11
• SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)CO)O
• Topological: 108
• Monoisotopic Mass: 352.98725
• Synonyms: 5-Iodo-2′-deoxycytidine, Ibacitabine, 2′-Deoxy-5-iodocytidine, Ibacitabina, Ibacitabine [INN], Ibacitabinum, Ibacitabinum [Latin], Ibacitabina [Spanish], 5-Iododeoxycytidine, CCRIS 2826, AI3-62629, EINECS 210-269-8, UNII-3EK8532DZV, Ibacitabine (INN), NSC 527083, 3EK8532DZV, NSC-527083, IBACITABINE [MART.], IBACITABINE [WHO-DD], DTXSID50209985, Ibacitabinum (Latin), IBACITABINE (MART.), Ibacitabin, Cuterpes, NSC527083, iododesoxycytidine, 4-amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-5-iodo-1,2-dihydropyrimidin-2-one, 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-1,2-dihydropyrimidin-2-one, D06BB08, DTXCID00132476, iododeoxycytidine, wevjjmpvvfnahz-xvmarjqxsa-n, 611-53-0, 4-Amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-iodopyrimidin-2(1H)-one, Cytidine, 2′-deoxy-5-iodo-, MFCD00038063, IDC, 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one, C9H12IN3O4, SCHEMBL225402, CHEMBL158653, 5-IODO-2’DEOXYCYTIDINE, CHEMBL2104340, EX-A9031T, CHEBI:135996, BDBM50028585, HG1100, AKOS015853900, AKOS015917916, CS-W011854, DB13776, HY-W011138, ND05777, 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidin-2-one, BP-58650, DS-14588, DB-008195, NS00034585, D07200, 5-Iodo-2 inverted exclamation marka-deoxycytidine, SR-01000945259, Q5983577, SR-01000945259-1, Ibacitabine;2′-Deoxy-5-iodo-D-cytidine;5′-Iodo-2′-deoxycytidine, 4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-iodo-1H-pyrimidin-2-one

Application

Ibacitabine has been investigated for its potential antiviral and antitumor properties, particularly in studies targeting DNA virus infections. The compound may serve as a substrate or inhibitor for viral polymerases due to its structural similarity to natural nucleosides. Researchers have explored its incorporation into nucleic acids and subsequent effects on replication processes. Ibacitabine’s mechanism of action may involve chain termination or induction of mutagenesis in viral genomes. This makes it a valuable tool for studying nucleoside analog therapies and resistance mechanisms.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.