Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H17F3N4O3S |
| Molecular Weight | 474.456 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1[C@H](C2=CC=C(C=C2S(C)(=O)=O)C#N)C(C#N)=C(C)N(C1=O)C3=CC=CC(=C3)C(F)(F)F
InChI
InChIKey=YAJWYFPMASPAMM-HXUWFJFHSA-N
InChI=1S/C22H17F3N4O3S/c1-13-18(12-27)20(17-8-7-14(11-26)9-19(17)33(3,31)32)28(2)21(30)29(13)16-6-4-5-15(10-16)22(23,24)25/h4-10,20H,1-3H3/t20-/m1/s1
| Molecular Formula | C22H17F3N4O3S |
| Molecular Weight | 474.456 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:10:40 UTC 2023
by
admin
on
Sat Dec 16 19:10:40 UTC 2023
|
| Record UNII |
U9DE68P1CA
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Code | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
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BAY-85-8501
Created by
admin on Sat Dec 16 19:10:40 UTC 2023 , Edited by admin on Sat Dec 16 19:10:40 UTC 2023
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PRIMARY | Official Title: A Phase IIa, Randomized, Double-blind, Placebo-controlled, Parallel Group Study to Assess the Safety and Efficacy of 28 Day Oral Administration of BAY85-8501 in Patients With Non-Cystic Fibrosis BronchiectasisPurpose: The primary objective of this study is to assess the safety and tolerability of 28 day oral administration of BAY85-8501 versus placebo in subjects with non-CF Bronchiectasis (BE).The secondary objectives are to examine the effect of BAY85-8501 on pulmonary function, biomarkers of inflammation and tissue damage, and the impact on overall health and perceived well-being and to evaluate the pharmacokinetics of BAY85-8501. | ||
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BAY-85-8501
Created by
admin on Sat Dec 16 19:10:40 UTC 2023 , Edited by admin on Sat Dec 16 19:10:40 UTC 2023
|
PRIMARY | Human neutrophil elastase (HNE) is a key protease for matrix degradation. High HNE activity is observed in inflammatory diseases. Accordingly, HNE is a potential target for the treatment of pulmonary diseases such as chronic obstructive pulmonary disease (COPD), acute lung injury (ALI), acute respiratory distress syndrome (ARDS), bronchiectasis (BE), and pulmonary hypertension (PH). | ||
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66601502
Created by
admin on Sat Dec 16 19:10:40 UTC 2023 , Edited by admin on Sat Dec 16 19:10:40 UTC 2023
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PRIMARY | |||
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1161921-82-9
Created by
admin on Sat Dec 16 19:10:40 UTC 2023 , Edited by admin on Sat Dec 16 19:10:40 UTC 2023
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PRIMARY | |||
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U9DE68P1CA
Created by
admin on Sat Dec 16 19:10:40 UTC 2023 , Edited by admin on Sat Dec 16 19:10:40 UTC 2023
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PRIMARY | |||
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300000004882
Created by
admin on Sat Dec 16 19:10:40 UTC 2023 , Edited by admin on Sat Dec 16 19:10:40 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
Human neutrophil elastase (HNE) is a key protease for matrix degradation. High HNE activity is observed in inflammatory diseases. While maintaining outstanding target selectivity, picomolar potency was achieved by locking the bioactive conformation of these inhibitors with a strategically positioned methyl sulfone substituent. An induced-fit binding mode allowed tight interactions with the S2 and S1 pockets of HNE. BAY 85-8501 ((4S)-4-(4-cyano-2-(methylsulfonyl)phenyl)-3,6-dimethyl-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile) was shown to be efficacious in a rodent animal model related to ALI. BAY 85-8501 is currently being tested in clinical studies for the treatment of pulmonary diseases.
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