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StructuralGenomicsConsortium / CNP16-iminoquinone-SarsRdRp-mechanstic-study

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Attempted monitoring/following the reaction of N-acetyl cysteine with RA-0001351 using NMR. #4

Closed qxsml closed 7 months ago

qxsml commented 9 months ago

I tried to follow the reaction of N-acetyl cysteine with RA-0001351 using NMR.

Solvent choice: a mixture of D2O and DMSO-d6, ideally 10% DMSO-d6 in D2O. Reason: the gel-based assay (for testing the iminoquinone) used 10% DMSO in Tris-HCl buffer.

My final attempt:

1: dissolved 3.6 mg of RA-0001351 in 100 uL of DMSO-d6 2: take aliquots of 5 uL (contains 0.18 mg RA-0001351), diluted with 45 uL DMSO-d6, then add 50 uL of D2O. The compound crashed out, solution turned cloudy.

Conclusion: This result indicates the solubility of RA-0001351 under aqueous conditions is very poor and monitoring the reaction using NMR is unfeasible.

mattodd commented 7 months ago

@qxsml I've linked this page to the wiki. Anything else needed? Otherwise please close with a comment.

qxsml commented 7 months ago

Thank you!