Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H18N6O3.2ClH |
| Molecular Weight | 463.317 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.Cl.COC1=CC=C(C=C1OC)C2=CC3=NC=CN3C(NC4=NC=CC=C4C(N)=O)=N2
InChI
InChIKey=SPMFEULFGGPQLN-UHFFFAOYSA-N
InChI=1S/C20H18N6O3.2ClH/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19;;/h3-11H,1-2H3,(H2,21,27)(H,23,24,25);2*1H
DescriptionCurator's Comment: Description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/26930276 | https://www.ncbi.nlm.nih.gov/pubmed/22815993 | https://www.ncbi.nlm.nih.gov/pubmed/26720004 | https://www.ncbi.nlm.nih.gov/pubmed/24828076 | https://www.ncbi.nlm.nih.gov/pubmed/21730355
Curator's Comment: Description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/26930276 | https://www.ncbi.nlm.nih.gov/pubmed/22815993 | https://www.ncbi.nlm.nih.gov/pubmed/26720004 | https://www.ncbi.nlm.nih.gov/pubmed/24828076 | https://www.ncbi.nlm.nih.gov/pubmed/21730355
BAY 61-3606 is a potent inhibitor of spleen tyrosine kinase (Syk) which is playing essential roles in receptors for Fc portion of immunoglobulins and B cell receptor complex signaling in various inflammatory cells. In addition, BAY61-3606 could inhibit the inhibitor of nuclear factor kappa B kinase (IKK-alpha) kinase activity. The compound is able to inhibit neoplastic phenotype of leukemia cells as well as of colon and breast cancer cells in vitro. BAY 61-3606 also exrets antiinflammatory and antiallergic properties in animal models.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL2599 |
7.5 nM [Ki] | ||
Target ID: CHEMBL3476 |
45.0 nM [IC50] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
Sample Use Guides
Oral administration of BAY 61-3606 to rats significantly suppressed antigen-induced passive cutaneous anaphylactic reaction, bronchoconstriction, and bronchial edema at 3 mg/kg.
Route of Administration:
Oral
BAY 61-3606 inhibited not only degranulation (IC50 values between 5 and 46 nM) but also lipid mediator and cytokine synthesis in mast cells. BAY 61-3606 was highly efficacious in basophils obtained from healthy human subjects (IC50 = 10 nM) and seems to be at least as potent in basophils obtained from atopic (high serum IgE) subjects (IC50 = 8.1 nM).
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DTXSID20215179
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648903-57-5
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11784504
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admin on Sat Dec 16 09:44:18 GMT 2023 , Edited by admin on Sat Dec 16 09:44:18 GMT 2023
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96PPV9GQ7A
Created by
admin on Sat Dec 16 09:44:18 GMT 2023 , Edited by admin on Sat Dec 16 09:44:18 GMT 2023
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ACTIVE MOIETY
SUBSTANCE RECORD
