SMILES:

NC1=NC2=NC=NC2=C([NH]1)OCC3=CC=C(CNC(=O)C(F)(F)F)C=C3
PIN1 inhibitor API-1 Chemical Structure
Chemical Structure
Check the PIN1 inhibitor API-1 product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name N-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
CAS Number 680622-70-2
Molecular Formula

C15H13F3N6O2
Molecular Weight (MW) 366.30
SMILES NC1=NC2=NC=NC2=C([NH]1)OCC3=CC=C(CNC(=O)C(F)(F)F)C=C3
InChIKey AQFWAWXGBQPBIA-UHFFFAOYSA-N

How to Prepare Stock Solution?

Concentration Volume Mass
🧮 Molarity Calculator

Solubility

Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
Solvent Solubility & Note
DMSO 73 mg/mL (199.29 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Water Insoluble
Ethanol Insoluble
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).

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