Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C26H25ClF3N5O3 |
| Molecular Weight | 547.957 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(O)CC(=O)NCCN1C=CC2=C1C(NC3=CC=C(OC4=CC=CC(=C4)C(F)(F)F)C(Cl)=C3)=NC=N2
InChI
InChIKey=ZYQXEVJIFYIBHZ-UHFFFAOYSA-N
InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)
DescriptionCurator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/23983820
Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/23983820
TAK-285 is a novel low-molecular weight compound that was designed, synthesized by Takeda Pharmaceutical Company, Osaka, Japan, and has been shown to selectively and potently inhibit HER2 and EGFR kinase activities. Biochemically, TAK-285 inhibits HER2 and EGFR phosphorylation, with 50% inhibition concentrations of 17 and 23 nmol –1, respectively. This drug was in the phase I of clinical trial for the treatment of solid rumors and cancer but was discontinued due to strategic reasons. In addition was investigated that TAK-285 is not Pgp substrates, which is why it may be useful in the development of agents with the potential to treat brain metastases.
Approval Year
Cmax
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
3700 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22240796 |
300 mg 2 times / day multiple, oral dose: 300 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
TAK-285 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: |
AUC
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
30900 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22240796 |
300 mg 2 times / day multiple, oral dose: 300 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
TAK-285 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: |
T1/2
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
8.25 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22240796 |
300 mg 2 times / day multiple, oral dose: 300 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
TAK-285 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: |
Sample Use Guides
TAK-285 at doses ranging from 50 to 400 mg once daily (q.d.) or twice daily (b.i.d.)
Route of Administration:
Oral
The EGFR·TAK-285 complex was prepared by incubation of the kinase domain of EGFR (5–10 mg/ml) in the final buffer with a 3-fold molar excess of TAK-285 (in 100% DMSO) on ice for 2–3 h. Crystallographic data show that TAK-285 binds to the inactive conformation of EGFR with a DFG-in and α-helix C-out conformation. One of the pyrrolo[3,2-d]pyrimidine ring nitrogen atoms makes a direct hydrogen bond with the main-chain nitrogen of Met793(EGFR) of the hinge region between the N- and C-lobes
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70CCB438L6
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871026-44-7
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11620908
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CHEMBL1614725
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C90589
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DTXSID10236136
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ACTIVE MOIETY
