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
[H][C@]1(CCCNC1)C2=C3COC(=O)NC3=NC(=C2)C4=C(OCC5CC5)C=CC=C4O
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
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
Sat Dec 16 18:08:13 UTC 2023
by
admin
on
Sat Dec 16 18:08:13 UTC 2023
|
| Record UNII |
PD4JW4DP5W
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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DTXSID90659526
Created by
admin on Sat Dec 16 18:08:13 UTC 2023 , Edited by admin on Sat Dec 16 18:08:13 UTC 2023
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135454904
Created by
admin on Sat Dec 16 18:08:13 UTC 2023 , Edited by admin on Sat Dec 16 18:08:13 UTC 2023
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PD4JW4DP5W
Created by
admin on Sat Dec 16 18:08:13 UTC 2023 , Edited by admin on Sat Dec 16 18:08:13 UTC 2023
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600734-02-9
Created by
admin on Sat Dec 16 18:08:13 UTC 2023 , Edited by admin on Sat Dec 16 18:08:13 UTC 2023
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PRIMARY |
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TARGET -> INHIBITOR |
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SALT/SOLVATE -> PARENT |
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ACTIVE MOIETY |
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