| Stereochemistry | ACHIRAL |
| Molecular Formula | C23H28N4O2 |
| Molecular Weight | 392.494 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=C(CC=C)C=CC=C1\C=N\NC(=O)CN2CCN(CC3=CC=CC=C3)CC2
InChI
InChIKey=YQNRVGJCPCNMKT-LFVJCYFKSA-N
InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+
| Molecular Formula | C23H28N4O2 |
| Molecular Weight | 392.494 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Procaspase-activating compound 1, PAC-1, has been introduced as a direct activator of procaspase-3 and has been suggested as a therapeutic agent against cancer. Its activation of procaspase-3 is dependent on the chelation of zinc. In 2015, a phase I clinical trial of PAC-1 opened for enrollment of cancer patients, and in 2016, it was announced that PAC-1 had been granted Orphan Drug Designation for treatment of glioblastoma by the FDA.
CNS Activity
Originator
Approval Year
Cmax
Overview
| CYP3A4 | CYP2C9 | CYP2D6 | hERG |
|---|---|---|---|
OverviewOther
| Other Inhibitor | Other Substrate | Other Inducer |
|---|---|---|
Sourcing
PubMed
Patents
Sample Use Guides
Using a dose-escalation design, PAC-1 is administered orally on days 1-21, at the assigned dose, of a 28-day cycle.
Route of Administration:
Oral
Next, the ability of PAC-1 to activate procaspase-3 and caspase-3 in a dose-dependent manner
was assessed in the presence and absence of zinc. For these experiments, concentrations of
PAC-1 from 0.025 uM to 100 uM were evaluated. In the presence of zinc and very low concentrations
of PAC-1, the procaspase-3/caspase-3 enzymes are powerfully inhibited. However, as PAC-1
concentration is increased, the activity of the enzymes in the buffer containing zinc is increased
to 40-60% of the maximal rate.
