Description

5-Bromo-3H,4H,7H-pyrrolo(2,3-d)pyrimidin-4-one (CAS: 22276-97-7) is a high-purity heterocyclic compound with the molecular formula C₆H₄BrN₃O. This brominated pyrrolopyrimidine derivative is a versatile building block in pharmaceutical and agrochemical research, particularly in the synthesis of nucleoside analogs and kinase inhibitors. Its unique structure makes it valuable for medicinal chemistry applications, including drug discovery and development. Our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied as a fine white to off-white powder, packaged under inert conditions to guarantee stability. Ideal for researchers requiring precise intermediates in organic synthesis or biochemical studies.

• CAS Number: 22276-97-7
• Molecular Weight: 214.02 g/mol
• Storage: Store at 2-8°C in a dry, dark environment
• Synonyms: See full list in product documentation

Properties

• CAS Number: 22276-97-7
• Complexity: 218
• IUPAC Name: 5-bromo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
• InChI: InChI=1S/C6H4BrN3O/c7-3-1-8-5-4(3)6(11)10-2-9-5/h1-2H,(H2,8,9,10,11)
• InChI Key: XJUAXRSIRZNYBE-UHFFFAOYSA-N
• Exact Mass: 212.95377
• Molecular Formula: C6H4BrN3O
• Molecular Weight: 214.02
• SMILES: C1=C(C2=C(N1)N=CNC2=O)Br
• Topological: 57.3
• Monoisotopic Mass: 212.95377
• Synonyms: 5-bromo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one, 5-bromo-3H,4H,7H-pyrrolo(2,3-d)pyrimidin-4-one, 869-215-2, 22276-97-7, 5-bromo-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one, 5-bromo-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one, 5-bromo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one, MFCD09999236, 5-Bromo-3,7-dihydro-4H-pyrrolo-[2,3-d]pyrimidin-4-one, 5-bromo-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, 7-BROMO-2,4,9-TRIAZABICYCLO[4.3.0]NONA-3,7,10-TRIEN-5-ONE, NSC124163, SCHEMBL7885564, SCHEMBL7885565, SCHEMBL18956191, DTXSID70298553, XJUAXRSIRZNYBE-UHFFFAOYSA-N, AKOS015835815, FS-2798, NSC-124163, 4-hydroxy-5-bromopyrrolo-[2,3-d]pyrimidine, CS-0157339, EN300-708829, 5-Bromo-3 pound not7-dihydro-4H-pyrrolo[2 pound not3-d]pyrimidin-4-one

5-Bromo-3H,4H,7H-pyrrolo(2,3-d)pyrimidin-4-one serves as a key intermediate in the synthesis of purine-like compounds for anticancer and antiviral drug development. Researchers utilize it to modify nucleoside scaffolds in kinase inhibitor design, particularly for targeting ATP-binding sites. Its reactivity at the 5-position enables selective functionalization for structure-activity relationship (SAR) studies. The compound has shown utility in fluorescent probe synthesis for biochemical assays. Suitable for small-scale laboratory use under standard safety protocols.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (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.