| Stereochemistry | ACHIRAL |
| Molecular Formula | C14H15ClN6O |
| Molecular Weight | 318.761 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(C)C=NC(CN2C=NC3=C(Cl)N=C(N)N=C23)=C1C
InChI
InChIKey=QULDDKSCVCJTPV-UHFFFAOYSA-N
InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
| Molecular Formula | C14H15ClN6O |
| Molecular Weight | 318.761 |
| 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 |
BIIB021 binds in the ATP-binding pocket of Hsp90, interferes with Hsp90 chaperone function, and results in client protein degradation and tumor growth inhibition. Hsp90 is overexpressed in many types of cancer and acts to stabilize malignancy producing oncoproteins. Therefore, inhibition of Hsp90 with BIIB021 leads to the degradation of oncoproteins that drive malignancy.
Originator
Approval Year
Sourcing
PubMed
Sample Use Guides
In a phase II clinical trial, breast cancer patients were treated with either 100 mg twice daily + exemestane 25 mg once per day for 28 days, or 450 mg three times weekly + exemestane 25 mg once per day.
Route of Administration:
Oral
BIIB021 was investigated as an inhibitor of heat shock protein 90 (Hsp90) alone and in combination with triptolide (TPL) on T-cell acute lymphoblastic leukemia. The cell viability of Human T-ALL cell line Molt-4 was measured using MTT assay. Molt-4 cells were treated with BIIB021 (50-800 nmol/L) which inhibited the cell growth in a dose-dependent manner. The IC50 value was 384.6 and 301.8 nmol/L, respectively, at 48 and 72 h.
