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Chemical structure of (1R,2R)-ML-SI3

GC64062

(1R,2R)-ML-SI3

Also known as N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide

(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

ChemicalCAS2418594-00-8MW429.58FormulaC23H31N3O3S
CAS number
2418594-00-8
Molecular weight
429.58
Formula
C23H31N3O3S
Solubility
DMSO ： 100 mg/mL (232·79 mM; Need ultrasonic)
InChIKey
OVTXOMMQHRIKGL-NHCUHLMSSA-N
Catalogue number
GC64062
Brand
GLPBIO
Computed properties PubChem CID 94784696 · XLogP 3.8 · TPSA 70.3 Ų · H-bond donors 1
XLogP
3.8
TPSA
70.3 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30

SMILES COC1=CC=CC=C1N2CCN(CC2)[C@@H]3CCCC[C@H]3NS(=O)(=O)C4=CC=CC=C4

Computed descriptors from PubChem (CID 94784696), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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