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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14BrN3O3
Molecular Weight 376.205
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WHI-P 154

SMILES

COC1=C(OC)C=C2C(NC3=CC(Br)=C(O)C=C3)=NC=NC2=C1

InChI

InChIKey=CBIAKDAYHRWZCU-UHFFFAOYSA-N
InChI=1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula C16H14BrN3O3
Molecular Weight 376.205
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

Description

WHI-P154 is an inhibitor of Janus-activated kinase JAK3. Also this drug inhibits other common kinases including EGFR, Src, Abl, VEGFR and others. WHI-P154 is potent inhibitor of glioblastoma cell adhesion and migration. Further preclinical development of WHI-P154 may provide the basis for the design of more effective adjuvant chemotherapy programs for glioblastoma multiforme. Treatment of ALK inhibitor, WHI-P154 resulted in the down-regulation of aberrant anaplastic lymphoma kinase (ALK) signaling, shrinkage of tumor, and suppression of metastasis and significantly improved survival of ALK mutant-bearing mice.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
1.8 µM [IC50]
4.0 nM [IC50]
100.0 nM [IC50]
26.9 µM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
Mouse: 1 mg/kg per day
Route of Administration: Intravenous
In Vitro Use Guide
WHI-P154 exhibited significant cytotoxicity against the U373 human glioblastoma cell line in three of three independent experiments with a mean (± SE) IC50 of 167.4 uM and a composite survival curve IC50 of 158.5 uM.
Substance Class Chemical
Record UNII
PG8BT6T9MB
Record Status Validated (UNII)
Record Version