Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H13O4S.Na |
| Molecular Weight | 288.295 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CCOC1=CC2=C(C=C(S2)C([O-])=O)C=C1OCC
InChI
InChIKey=ILEWAUWOUIHKID-UHFFFAOYSA-M
InChI=1S/C13H14O4S.Na/c1-3-16-9-5-8-6-12(13(14)15)18-11(8)7-10(9)17-4-2;/h5-7H,3-4H2,1-2H3,(H,14,15);/q;+1/p-1
| Molecular Formula | C13H13O4S |
| Molecular Weight | 265.305 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Tibenelast is an orally active phosphodiesterase inhibitor that was undergoing phase II clinical trials in the USA as a bronchodilator. In preclinical studies Tibenelast is moderately active against the lung and stomach enzyme while being a very weak inhibitor of the heart enzyme and it does not inhibit enzymes involved in arachidonic acid metabolism. Tibenelast shows potent anti-anaphylactic activity in guinea pigs without cardiovascular effects at the bronchodilatory doses.
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:28:55 GMT 2023
by
admin
on
Fri Dec 15 15:28:55 GMT 2023
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| Record UNII |
V58CN2SY21
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| Record Status |
Validated (UNII)
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| Record Version |
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NCI_THESAURUS |
C319
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admin on Fri Dec 15 15:28:55 GMT 2023 , Edited by admin on Fri Dec 15 15:28:55 GMT 2023
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105102-18-9
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V58CN2SY21
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C74222
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C063779
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Z-18
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CHEMBL2111055
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23700081
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DTXSID70909334
Created by
admin on Fri Dec 15 15:28:55 GMT 2023 , Edited by admin on Fri Dec 15 15:28:55 GMT 2023
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| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |