Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C15H9BN2O3 |
| Molecular Weight | 276.055 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OB1OCC2=C1C=CC(OC3=CC(C#N)=C(C=C3)C#N)=C2
InChI
InChIKey=UBMGTTRDNUKZMT-UHFFFAOYSA-N
InChI=1S/C15H9BN2O3/c17-7-10-1-2-13(5-11(10)8-18)21-14-3-4-15-12(6-14)9-20-16(15)19/h1-6,19H,9H2
| Molecular Formula | C15H9BN2O3 |
| Molecular Weight | 276.055 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Anacor Pharmaceuticals (now Pfizer) was developing AN-2898, a boron-containing, small-molecule inhibitor of type 4 cyclic nucleotide phosphodiesterase (phosphodiesterase IV), as a topically applied therapy for psoriasis and atopic dermatitis. AN-2898 inhibits the release of tumore necrosis factor-alfa (TNFα), interleukin (IL)-12, and IL-23. AN-2898 also inhibits the activity of phosphodiesterase (PDE) 4 and 7. AN-2898 IC50 values for inhibition of PDE4 and PDE7 activity is 0.06 and 0.21 uM, respectively. AN-2898 is a competitive, reversible inhibitor of PDE4 with a Ki of 65 nM. AN-2898 has been studied in clinical trials for atopic dermatitis and psoriasis. The development of AN-2898 appears to have been discontinued.
Originator
Sources: https://adisinsight.springer.com/drugs/800029830
Curator's Comment: now Pfizer
Approval Year
Sample Use Guides
The Phase 2a, six-week, double-blind, bilateral trial enrolled 46 patients, randomized 1:1 to treat atopic dermatitis lesions twice daily with either 2% AN-2728 ointment and vehicle or 1% AN-2898 ointment and vehicle
Route of Administration:
Topical
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/23625818
AN-2898 inhibited phosphodiesterase 4 (PDE4) enzyme activity (IC50 0.060 uM) and the release of multiple cytokines including TNF-α (IC50 0.16 uM) from peripheral blood mononuclear cells (hPBMCs) stimulated by lipopolysaccharide (LPS) or phytohemag- glutinin.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:25:07 GMT 2025
by
admin
on
Mon Mar 31 21:25:07 GMT 2025
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| Record UNII |
6O60L94RMB
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| Record Status |
Validated (UNII)
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