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

CAS: 145739-56-6 Cat. No.: T614394 Formula: C₁₉H₁₈N₂O₄S Peso molecolare: 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

Panoramica

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

Specifications

Sinonimi

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

Specifiche e purezza

Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Phosphodiesterase 4 inhibitor

Purezza

≥98%

Proprietà del prodotto

• ALogP: 3.8

Nomi e identificatori

• Pubchem Sid: 528768759
• Sorrisi canonici: 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)
• Isomeri SMILES: CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=NC(=CC=C3)C(=O)O)OCC
• PubChem CID: 3025803
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Obiettivi associati (non umani)

Pde4d Phosphodiesterase 4D (4 Activities)

Discover Target: Pde4d

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: light sensitive
• Peso molecolare: 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