Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C27H29N5O |
| Molecular Weight | 439.5521 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=C2C(=CN([C@H]3C[C@H](CN4CCC4)C3)C2=NC=N1)C5=CC=CC(OCC6=CC=CC=C6)=C5
InChI
InChIKey=AECDBHGVIIRMOI-AQYVVDRMSA-N
InChI=1S/C27H29N5O/c28-26-25-24(21-8-4-9-23(14-21)33-17-19-6-2-1-3-7-19)16-32(27(25)30-18-29-26)22-12-20(13-22)15-31-10-5-11-31/h1-4,6-9,14,16,18,20,22H,5,10-13,15,17H2,(H2,28,29,30)/t20-,22-
DescriptionCurator's Comment: Description was created based on several sources, including http://www.bloodjournal.org/content/104/11/766
Curator's Comment: Description was created based on several sources, including http://www.bloodjournal.org/content/104/11/766
AEW-541 is a pyrrolo[2,3-d]pyrimidine derivative small molecular weight kinase inhibitor of the IGF-IR IGF-1R/InsR with IC50 of 150 nM/140 nM in cell-free assays, greater potency and selectivity for IGF-1R in a cell-based assay. In vivo, this orally bioavailable compound inhibits IGF-IR signaling in tumor xenografts and significantly reduces the growth of IGF-IR-driven fibrosarcomas. AEW-541 represents a class of selective, small molecule IGF-IR kinase inhibitors with proven in vivo antitumor activity and potential therapeutic application.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL1957 |
86.0 nM [IC50] | ||
Target ID: CHEMBL3187 |
140.0 nM [IC50] | ||
Target ID: CHEMBL1974 |
0.42 µM [IC50] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
|||
| Primary | Unknown Approved UseUnknown |
AUC
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
311 nM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/26951753 |
1 mg/kg single, oral dose: 1 mg/kg route of administration: Oral experiment type: SINGLE co-administered: |
AEW-541 plasma | Rattus norvegicus population: UNKNOWN age: ADULT sex: UNKNOWN food status: UNKNOWN |
T1/2
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
2 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/26951753 |
1 mg/kg single, oral dose: 1 mg/kg route of administration: Oral experiment type: SINGLE co-administered: |
AEW-541 plasma | Rattus norvegicus population: UNKNOWN age: ADULT sex: UNKNOWN food status: UNKNOWN |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Co-administration of NVP-AEW541 and dasatinib induces mitochondrial-mediated apoptosis through Bax activation in malignant human glioma cell lines. | 2010-09 |
|
| Loss of Phosphatase and Tensin homologue deleted on chromosome 10 engages ErbB3 and insulin-like growth factor-I receptor signaling to promote antiestrogen resistance in breast cancer. | 2009-05-15 |
|
| In vivo antitumor activity of NVP-AEW541-A novel, potent, and selective inhibitor of the IGF-IR kinase. | 2004-03 |
Patents
Sample Use Guides
Mice: The tumor-bearing mice were treated with AEW-541 at a dose of 50 mg/ kg/12 hours by oral gavage (enterally)
Route of Administration:
Oral
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97QB5037VR
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11476171
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475488-34-7
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CHEMBL551064
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ACTIVE MOIETY
