IWP L6 - ≥98%(HPLC) , CAS No.1427782-89-5

CAS: 1427782-89-5 Cat. No.: I288756 Formule: C₂₅H₂₀N₄O₂S₂ Poids moléculaire: 472.58

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-(5-Phényl-2-pyridinyl)-2-[(3,4,6,7-tétrahydro-4-oxo-3-phénylthiéno[3,2-d]pyrimidin-2-yl)thio]acétamide | 2-[(4-oxo-3-phényl-6,7-dihydrothiéno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-phénylpyridin-2-yl)acétamide

Storage

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Specifications

Synonymes

N-(5-Phényl-2-pyridinyl)-2-[(3,4,6,7-tétrahydro-4-oxo-3-phénylthiéno[3,2-d]pyrimidin-2-yl)thio]acétamide | 2-[(4-oxo-3-phényl-6,7-dihydrothiéno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-phénylpyridin-2-yl)acétamide

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Inhibiteur puissant de Porcupine (PORCN), une O-acyltransférase membranaire (MBOAT) (EC50= 0,5 nM). Inhibe les processus dépendant de Wnt tels que la régénération de la queue et la formation de l'axe postérieur chez le poisson zèbre ; réduit également la

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Type d'action

INHIBITOR

Pureté

≥98%(HPLC)

Noms et identifiants

• Pubchem Sid: 488202269
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202269
• Sourires canoniques: C1CSC2=C1N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)NC4=NC=C(C=C4)C5=CC=CC=C5
• IUPAC Name: 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(5-phenylpyridin-2-yl)acetamide
• InChIKey: QESQGTFWEQMCMH-UHFFFAOYSA-N
• INCHI: 1S/C25H20N4O2S2/c30-22(28-21-12-11-18(15-26-21)17-7-3-1-4-8-17)16-33-25-27-20-13-14-32-23(20)24(31)29(25)19-9-5-2-6-10-19/h1-12,15H,13-14,16H2,(H,26,28,30)
• Isomères SMILES: C1CSC2=C1N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)NC4=NC=C(C=C4)C5=CC=CC=C5
• Poids moléculaire: 472.58
• Reaxy-Rn: 23471712
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23471712&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Thienopyrimidines N-arylamides Pyrimidones Alkylarylthioethers Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Lactams Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-phenylpyridine - Thienopyrimidine - Aryl thioether - N-arylamide - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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)

HeLa (62764 Activities)

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Liver (3974 Activities)

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PORCN Tchem Probable protein-cysteine N-palmitoyltransferase porcupine (135 Activities)

Discover Target: PORCN

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

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Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Danio rerio (3092 Activities)

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Plasma (328 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 47.26, Max Conc. mM: 100
• Poids moléculaire: 472.600 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 472.103 Da
• Monoisotopic Mass: 472.103 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 802.000
• 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