Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C31H29ClFN5O3.2C4H4O4 |
| Molecular Weight | 806.189 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 3 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CCOC1=CC2=NC=C(C#N)C(NC3=CC=C(OCC4=CC(F)=CC=C4)C(Cl)=C3)=C2C=C1NC(=O)\C=C\CN(C)C
InChI
InChIKey=XQJVNEZMRMUPTL-ZMKZOGGKSA-N
InChI=1S/C31H29ClFN5O3.2C4H4O4/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;2*5-3(6)1-2-4(7)8/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,35,36)(H,37,39);2*1-2H,(H,5,6)(H,7,8)/b9-6+;2*2-1-
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C31H29ClFN5O3 |
| Molecular Weight | 574.045 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
DescriptionCurator's Comment: The description was created based on several sources, including
https://clinicaltrials.gov/ct2/show/NCT00550381
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.
Approval Year
Sample Use Guides
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
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.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:23:33 GMT 2025
by
admin
on
Mon Mar 31 21:23:33 GMT 2025
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| Record UNII |
7X764DR931
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| Record Status |
Validated (UNII)
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| Record Version |
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72941950
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