Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C19H31N3O4S.ClH |
| Molecular Weight | 433.993 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)\C=C\CN3CCCCC3)N(C1=O)S(C)(=O)=O
InChI
InChIKey=UFCZUKYPBPXODT-OFTZGUNKSA-N
InChI=1S/C19H31N3O4S.ClH/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20;/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3;1H/b8-7+;/t15-,17+,18-;/m1./s1
| Molecular Formula | C19H31N3O4S |
| Molecular Weight | 397.532 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionCurator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/26081156
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/26081156
GW-311616, a specific NE inhibitor, may act as a potential targeted drug for leukemia, which may have a profound impact on the future of leukemia-targeted therapy. GW-311616 hydrochloride is a potent, selective, intracellular, orally bioavailable and long duration inhibitor of human neutrophil elastase (HNE) with an IC50 value of 22nM. GW-311616 hydrochloride has been found to be selevtive over other human serine proteases with IC50 values of 22nM for HNE, >100uM for trypsin, cathepsin G, and plasmin, >3uM for chymotrypsin and tissue plasminogen activator. In HNE enzyme kinetic tests, GW-311616 has been reported to inhibit HNE with a Ki value of 0.13nM. In addition, GW-311616 has been revealed to inhibit HWB with an IC50 values of 0.67uM in HWB assay. Moreover, by measurement of intraneutrophil elastase activity, GW-311616 hydrochloride has been suggested to have a dose-response and duration of action in blood samples of dog. At present, although research on GW-311616 has being dropped at the preclinical stage, the beneficial profile of oral GW-311616 may make it usuful in the design of new drugs.
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Neutrophil elastase and its therapeutic effect on leukemia cells. | 2015-09 |
|
| [Neutrophil elastase inhibitor on proliferation and apoptosis of U937 cells]. | 2013-06 |
|
| Imbalance between neutrophil elastase and its inhibitor α1-antitrypsin in obesity alters insulin sensitivity, inflammation, and energy expenditure. | 2013-04-02 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 12:07:59 GMT 2025
by
admin
on
Wed Apr 02 12:07:59 GMT 2025
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| Record UNII |
171SKM32U6
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| Record Status |
Validated (UNII)
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| Record Version |
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197890-44-1
Created by
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171SKM32U6
Created by
admin on Wed Apr 02 12:07:59 GMT 2025 , Edited by admin on Wed Apr 02 12:07:59 GMT 2025
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9889108
Created by
admin on Wed Apr 02 12:07:59 GMT 2025 , Edited by admin on Wed Apr 02 12:07:59 GMT 2025
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