Details
Stereochemistry | ACHIRAL |
Molecular Formula | C31H29ClFN5O3 |
Molecular Weight | 574.045 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOC1=CC2=C(C=C1NC(=O)\C=C\CN(C)C)C(NC3=CC(Cl)=C(OCC4=CC(F)=CC=C4)C=C3)=C(C=N2)C#N
InChI
InChIKey=NERXPXBELDBEPZ-RMKNXTFCSA-N
InChI=1S/C31H29ClFN5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)9-6-12-38(2)3)31(21(17-34)18-35-26)36-23-10-11-28(25(32)14-23)41-19-20-7-5-8-22(33)13-20/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,35,36)(H,37,39)/b9-6+
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/15715478Curator's Comment: The description was created based on several sources, including
https://clinicaltrials.gov/ct2/show/NCT00550381
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15715478
Curator's Comment: The description was created based on several sources, including
https://clinicaltrials.gov/ct2/show/NCT00550381
HKI-357 is a potent, dual irreversible inhibitor of ErbB2 (HER2) and EGFR. HKI-357 suppresses ligand-induced EGFR autophosphorylation and cell proliferation in NCI-H1975 cells containing L858R and T790M mutations.
Originator
Sources: http://www.google.co.in/patents/WO2005034955A1
Curator's Comment: # Wyeth, John, and Brother Ltd
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL203 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15715478 |
34.0 nM [IC50] | ||
Target ID: CHEMBL1824 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15715478 |
33.0 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15715478
HKI-357 (7f) was formulated in 0.5% methylcellulose and 2.0% polysorbate-80 (Tween-80) and adminstered orally (80mk/kg, 40 mg/kg or 10 mg/kg) once daily for 20 days
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15715478
Cells were plated in 96-well tissue culture plates (3T3, 3T3/neu, 5000 cells/well; A431, SK-Br-3, BT474, MDA-MB-435, and SW620, 10,000 cells/well). The following day, dilutions of HKI-357 (0.5 ng/ml–5 mkg/ml) were added, and cells were cultured for 2 days (6 days for BT474). Cell proliferation was determined using sulforhodamine B, a protein binding dye.
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848133-17-5
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11238512
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DTXSID20233873
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ACTIVE MOIETY
SALT/SOLVATE (PARENT)