tetomilast - Moligand™, ≥98% , Phosphodiesterase 4 inhibitor, CAS No.145739-56-6, Phosphodiesterase 4 inhibitor

CAS: 145739-56-6 Cat. No.: T614394 Formule: C₁₉H₁₈N₂O₄S Poids moléculaire: 370.42 PubChem CID: 3025803

GRADE & PURITY Moligand™, ≥98%

Synonyms

HY-105092 | GTPL9877 | DTXSID00163149 | OPC 6535 | Tetomilast (OPC6535) | SB16736 | 6-(2-(3,4-Diethoxyphenyl)-4-thiazolyl)-2-pyridinecarboxylic acid | Tetomilast [INN] | XDBHURGONHZNJF-UHFFFAOYSA-N | 6-(2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl)pyridine-2-c

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Tetomilast (OPC-6535) is a PDE4 inhibitor with potential for the research of inflammatory bowel disease (IBD) and chronic obstructive pulmonary disease (COPD).

Specifications

Synonymes

HY-105092 | GTPL9877 | DTXSID00163149 | OPC 6535 | Tetomilast (OPC6535) | SB16736 | 6-(2-(3,4-Diethoxyphenyl)-4-thiazolyl)-2-pyridinecarboxylic acid | Tetomilast [INN] | XDBHURGONHZNJF-UHFFFAOYSA-N | 6-(2-(3,4-Diethoxyphenyl)-1,3-thiazol-4-yl)pyridine-2-c

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

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

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Phosphodiesterase 4 inhibitor

Pureté

≥98%

Propriétés du produit

ALogP

3.8

Noms et identifiants

Pubchem Sid

528768759

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528768759

Sourires canoniques

CCOc1cc(ccc1OCC)c1scc(n1)c1cccc(n1)C(=O)O

IUPAC Name

6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid

InChIKey

XDBHURGONHZNJF-UHFFFAOYSA-N

INCHI

1S/C19H18N2O4S/c1-3-24-16-9-8-12(10-17(16)25-4-2)18-21-15(11-26-18)13-6-5-7-14(20-13)19(22)23/h5-11H,3-4H2,1-2H3,(H,22,23)

Isomères SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=NC(=CC=C3)C(=O)O)OCC

PubChem CID

3025803

Poids moléculaire

370.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers 2,4-disubstituted thiazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Phenoxy compound - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• 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

Cibles associées (humaines)

PDE4D Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4D (2 Activities)

Discover Target: PDE4D

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Homo sapiens (32628 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Pde4d Phosphodiesterase 4D (4 Activities)

Discover Target: Pde4d

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• Poids moléculaire: 370.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 370.099 Da
• Monoisotopic Mass: 370.099 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 467.000
• 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: 1