| Stereochemistry | ACHIRAL |
| Molecular Formula | C16H16N6 |
| Molecular Weight | 292.3384 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C(NC1=NC=CC=N1)C2=CC=C(CNC3=NC=CC=N3)C=C2
InChI
InChIKey=PXZXYRKDDXKDTK-UHFFFAOYSA-N
InChI=1S/C16H16N6/c1-7-17-15(18-8-1)21-11-13-3-5-14(6-4-13)12-22-16-19-9-2-10-20-16/h1-10H,11-12H2,(H,17,18,21)(H,19,20,22)
| Molecular Formula | C16H16N6 |
| Molecular Weight | 292.3384 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
MSX-122 is an orally available small molecule partial antagonist of C-X-C chemokine 4 patented by Emory University for treating or reducing the severity of hyperproliferative diseases by inhibiting metastasis. In preclinical studies, MSX-122 prevents the production of TNF-α, IL-1β, and IL-6. MSX-122 also reduces TNF-α secretion by macrophages infected with patient-derived invasive E. coli. It decreases metastases in mouse models utilizing MDA-MB-231 breast cancer or 686LN-Ms squamous cell carcinoma cells injected intravenously or OMM2.3 melanoma cells inoculated into the eye. Unfortunately, MSX-122 have failed in clinical trials due to unmanageable toxicities
