SMILES:

CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(CC3=CC=CC=C3)NC(=O)C(CC(N)=O)NC(=O)C4=NC5=CC=CC=C5C=C4
Saquinavir (Ro 31-8959) Chemical Structure
Chemical Structure
Check the Saquinavir (Ro 31-8959) product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
CAS Number 127779-20-8
Molecular Formula

C38H50N6O5
Molecular Weight (MW) 670.84
SMILES CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(CC3=CC=CC=C3)NC(=O)C(CC(N)=O)NC(=O)C4=NC5=CC=CC=C5C=C4
InChIKey QWAXKHKRTORLEM-UGJKXSETSA-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 100 mg/mL (149.06 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Ethanol 25 mg/mL
Water 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.