CAS No. 108-53-2

Batch: Purity:99.63
Isocytosine Chemical Structure
Chemical Structure
Check the Isocytosine product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

CAS Number 108-53-2
Molecular Formula

C4H5N3O

Molecular Weight (MW) 111.10
SMILES C1=CN=C(NC1=O)N

Biological Activity

Isocytosine is a cytosine isomer and nucleobase analog used extensively in physical-chemical studies of non-canonical base pairing, metal complex binding, and hydrogen-bonding interactions. It participates in specific hydrogen-bonded base pairs, such as with isoguanine, enabling the expansion of the genetic alphabet and facilitating structural analysis of nucleobase tautomerism and proton transfer dynamics. [1]

How to Prepare Stock Solution?

Concentration Volume Mass
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Solubility

Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
Solvent Solubility & Note
DMSO 11 mg/mL (99.0 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
FAQ
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
  • Preheat media/saline to 37°C.
  • Mix rapidly (pipette/vortex) upon addition.
  • For complex mixes, always add the aqueous phase last.
  • Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).

Reference

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Note: Technical data last updated: Sep 1, 2026.