| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H19N3O4S2 |
| Molecular Weight | 441.523 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(O)C(CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=C(S3)C=CC=C4)=CC=C1
InChI
InChIKey=OWHBVKBNNRYMIN-UHFFFAOYSA-N
InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)
ML355 is a potent and selective inhibitors of 12-Lipoxygenase(12-LOX) with IC50 of 0.34 uM. It has excellent selectivity over related lipoxygenases and cyclooxygenases. ML355 has favorable absorption, distribution, metabolism, and excretion (ADME) properties, inhibits PAR-4 induced aggregation and calcium mobilization in human platelets, and reduces 12-HETE in mouse/human beta cells suggesting its potential utility in animal models for antiplatelet therapy and diabetes.
Originator
Approval Year
PubMed
Sample Use Guides
Mice: In vivo PK studies where ML355 was administered as a solution via IV (3mg/kg) and PO (30mg/kg) demonstrated that ML355 is orally bioavailable (%F = 20) with good half-life (T1/2 = 2.9 hours).
Route of Administration:
Other
ML355 was able to potently inhibit 12-HETE in BTC3 cells with an approximate
IC50 of 1 uM, as measured by ELISA. At concentrations as low as 250 nM of ML355 calcium mobilization in human platelets is reduced
significantly (measured as fold change), with complete inhibition of calcium mobilization
occurring at ∼5 uM.
ACTIVE MOIETY
