(1R,2R)-ML-SI3

• CAT Number: I044108
• CAS Number: 2418594-00-8
• Molecular Formula: C23H31N3O3S
• Molecular Weight: 429.58
• Purity: ≥95%
• Synonyms: N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
• InChI: InChI=1S/C23H31N3O3S/c1-29-23-14-8-7-13-22(23)26-17-15-25(16-18-26)21-12-6-5-11-20(21)24-30(27,28)19-9-3-2-4-10-19/h2-4,7-10,13-14,20-21,24H,5-6,11-12,15-18H2,1H3/t20-,21-/m1/s1
• InChIKey: OVTXOMMQHRIKGL-NHCUHLMSSA-N
• SMILES: COC1=CC=CC=C1N2CCN(CC2)C3CCCCC3NS(=O)(=O)C4=CC=CC=C4

(1R,2R)-ML-SI3 is a potent inhibitor of both TRPML1 and TRPML2 (IC50 values of 1.6 and 2.3 μM) and a weak inhibitor (IC50 12.5 μM) of TRPML3[1].

Reference

[1]. Leser C, Keller M, Gerndt S, et al. Chemical and pharmacological characterization of the TRPML calcium channel blockers ML-SI1 and ML-SI3. Eur J Med Chem. 2021;210:112966.
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