≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Tibenelast sodium is a phosphodiesterase inhibitor.
In Vitro
The effect of the phosphodiesterase inhibitor Tibenelast, and placebo on isoproterenol-induced changes in heart rate, cAMP and norepinephrine levels in normal male volunteers is studied. Tibenelast increases the heart rate response to isoproterenol infusion, whereas norepinephrine and cAMP levels are not different in any treatment. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Tibenelast is a potent orally active compound against anaphylactic shock induced by high dose antigen aerosol. When a lower aerosol challenge (0.05 mg/mL) is employed, bronchoconstriction is observed with a concomitant increase in lung resistance (RL) and a fall in dynamic compliance (Cdyn). Tibenelast at 25 mg/kg p.o. prevents these changes. Tibenelast is 10 times more potent than Aminophylline by i.v. administration; normalization of pulmonary function is achieved at 1 mg/kg i.v. Tibenelast is synergistic with epinephrine. The oral dose response curve of Tibenelast is enhanced with the co-administration of epinephrine. Tibenelast may be of significant value in the treatment of asthma and other respiratory diseases. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:phosphodiesterase
| Kanonisches Lächeln | CCOC1=C(C=C2C(=C1)C=C(S2)C(=O)[O-])OCC.[Na+] |
|---|---|
| IUPAC Name | sodium;5,6-diethoxy-1-benzothiophene-2-carboxylate |
| 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 |
| Isomere SMILES | CCOC1=C(C=C2C(=C1)C=C(S2)C(=O)[O-])OCC.[Na+] |
| Alternative CAS-Nummer | 105102-18-9 |
| PubChem CID | 23700081 |
| MeSH-Eintrag | 5,6-diethoxybenzo(b)thiophene-2-carboxylic acid;LY 186655;LY-186655;tibenclast;tibenelast;tibenelast sodium |
| Molekulargewicht | 288.29 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Klasse | Benzothiophenes |
| Subclass | 1-benzothiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzothiophenes |
| Alternative Parents | Thiophene carboxylic acids Phenol ethers 2,3,5-trisubstituted thiophenes Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-benzothiophene - Phenol ether - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Ether - Organic alkali metal salt - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic sodium salt - Organic salt - Organic cation - Aromatic heteropolycyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system. |
| External Descriptors | Not available |
| Löslichkeit | DMSO : 50 mg/mL (173.44 mM; Need ultrasonic) |
|---|---|
| Molekulargewicht | 288.300 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 288.043 Da |
| Monoisotopic Mass | 288.043 Da |
| Topological Polar Surface Area | 86.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 302.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
