Tibenelast sodium - ≥99% , CAS No.105102-18-9

CAS: 105102-18-9 Cat. No.: T647136 Formule: C₁₃H₁₃NaO₄S Poids moléculaire: 288.29 PubChem CID: 23700081

QUALITÉ & PURETÉ ≥99%

Synonyms

sodium;5,6-diethoxy-1-benzothiophene-2-carboxylate|sodium 5,6-diethoxy-1-benzothiophene-2-carboxylate|Benzo(b)thiophene-2-carboxylic acid, 5,6-diethoxy-, sodium salt|sodium 5,6-diethoxybenzo(b)thiophene-2-carboxylate|Tibenelast sodium [USAN]|Tibenelast sodium (USAN)|LY 186655|LY-186655|TIBENELAST SODIUM|BENZO(B)THIOPHENE-2-CARBOXYLIC ACID, 5,6-DIETHOXY-, SODIUM SALT (1:1)

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Vue d’ensemble

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

Spécifications

Synonymes

sodium;5,6-diethoxy-1-benzothiophene-2-carboxylate | sodium 5,6-diethoxy-1-benzothiophene-2-carboxylate | Benzo(b)thiophene-2-carboxylic acid, 5,6-diethoxy-, sodium salt | sodium 5,6-diethoxybenzo(b)thiophene-2-carboxylate | Tibenelast sodium [USAN] | Tibenelast sodium (USAN) | LY 186655 | LY-186655 | TIBENELAST SODIUM | BENZO(B)THIOPHENE Afficher plus

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

Tibenelast sodium is a phosphodiesterase inhibitor.

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

CCOC1=C(C=C2C(=C1)C=C(S2)C(=O)[O-])OCC.[Na+]

CAS alternatif

105102-18-9

PubChem CID

23700081

Termes d'entrée MeSH

5,6-diethoxybenzo(b)thiophene-2-carboxylic acid;LY 186655;LY-186655;tibenclast;tibenelast;tibenelast sodium

Poids moléculaire

288.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzothiophenes
      • Subclass 1-benzothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Solubilité: DMSO : 50 mg/mL (173.44 mM; Need ultrasonic)
• Poids moléculaire: 288.300 g/mol
• 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

XLogP3

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 105102-18-9, the molecular formula is C13H13NaO4S, and the molecular weight is 288.29 g/mol. InChIKey ILEWAUWOUIHKID-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.