Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H25N3O4 |
| Molecular Weight | 395.4516 |
| Optical Activity | ( - ) |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=C(C(OCC2CC2)=CC=C1)C3=NC4=C(COC(=O)N4)C(=C3)[C@@H]5CCCNC5
InChI
InChIKey=IGJVFGZEWDGDOO-CQSZACIVSA-N
InChI=1S/C22H25N3O4/c26-18-4-1-5-19(28-11-13-6-7-13)20(18)17-9-15(14-3-2-8-23-10-14)16-12-29-22(27)25-21(16)24-17/h1,4-5,9,13-14,23,26H,2-3,6-8,10-12H2,(H,24,25,27)/t14-/m1/s1
| Molecular Formula | C22H25N3O4 |
| Molecular Weight | 395.4516 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/21078555 | https://www.ncbi.nlm.nih.gov/pubmed/20190013Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/17675566
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21078555 | https://www.ncbi.nlm.nih.gov/pubmed/20190013
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/17675566
Bay 65-1942 free base (Bay 65-1942) is a selective inhibitor of IKKβ with IC50 value of 10 uM and Ki value of 2 nM. Bay 65-1942 has been reported to provide cardioprotection through specific suppression of NF-κB signaling. It also afforded potent neuroprotection against LPS-induced neurodegeneration through selective inhibition of NF-kappaB activation and may be of potential benefit in the treatment of PD.
CNS Activity
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Discovery of a novel IKK-β inhibitor by ligand-based virtual screening techniques. | 2011-01-01 |
|
| Inhibition of IkappaB kinase-beta protects dopamine neurons against lipopolysaccharide-induced neurotoxicity. | 2010-06 |
|
| IKKbeta inhibition attenuates myocardial injury and dysfunction following acute ischemia-reperfusion injury. | 2007-10 |
Sample Use Guides
In Vivo Use Guide
Curator's Comment: Rats: Daily subcutaneous injection of Bay 65-1942 (1 mg/kg) for 7 days inhibited the activation of microglia induced by nigral stereotaxic injection of lipopolysaccharide (LPS) and significantly attenuated LPS-induced loss of DA neurons in the substantia nigra (SN). https://www.ncbi.nlm.nih.gov/pubmed/20190013
Mice: Dosages in mice of 2 mg/kg intravenously and
10 mg/kg orally had moderate clearance rates and desirable pharmacokinetic
profiles. Intraperitoneal injection within that dosing range of 5 mg/kg.
Route of Administration:
Other
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 10:13:27 GMT 2025
by
admin
on
Wed Apr 02 10:13:27 GMT 2025
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| Record UNII |
PD4JW4DP5W
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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DTXSID90659526
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135454904
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PD4JW4DP5W
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600734-02-9
Created by
admin on Wed Apr 02 10:13:27 GMT 2025 , Edited by admin on Wed Apr 02 10:13:27 GMT 2025
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| Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
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SALT/SOLVATE -> PARENT |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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