Pyrrophenone - ≥98% , CAS No.341973-06-6

CAS: 341973-06-6 Cat. No.: P333300 Formula: C₄₉H₃₇F₂N₃O₅S₂ Peso molecolare: 849.96 PubChem CID: 9962675

GRADE & PURITY ≥98%

Synonyms

N-{[(2S,4R)-1-[2-(2,4-Difluorobenzoyl)benzoyl]-4-(tritylsulfanyl)-2-pyrrolidinyl]methyl}-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Pyrrophenone is a potent and specific cytosolic phospholipase A2α (cPLA2α) inhibitor with an IC50 value of 4.2 nM

Specifications

Sinonimi

N-{[(2S,4R)-1-[2-(2,4-Difluorobenzoyl)benzoyl]-4-(tritylsulfanyl)-2-pyrrolidinyl]methyl}-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide

Specifiche e purezza

≥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.

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C1C(CN(C1CNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC(=O)S3)C(=O)C4=CC=CC=C4C(=O)C5=C(C=C(C=C5)F)F)SC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
• IUPAC Name: N-[[(2S,4R)-1-[2-(2,4-difluorobenzoyl)benzoyl]-4-tritylsulfanylpyrrolidin-2-yl]methyl]-4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide
• InChIKey: XSCZRVUQXBBTRO-MKNPRXRUSA-N
• INCHI: 1S/C49H37F2N3O5S2/c50-36-24-25-41(42(51)27-36)44(55)39-18-10-11-19-40(39)47(58)54-30-38(28-37(54)29-52-45(56)32-22-20-31(21-23-32)26-43-46(57)53-48(59)60-43)61-49(33-12-4-1-5-13-33,34-14-6-2-7-15-34)35-16-8-3-9-17-35/h1-27,37-38H,28-30H2,(H,52,56)(H,53,57,59)/b43-26+/t37-,38+/m0/s1
• Isomeri SMILES: C1[C@H](CN([C@@H]1CNC(=O)C2=CC=C(C=C2)/C=C/3\C(=O)NC(=O)S3)C(=O)C4=CC=CC=C4C(=O)C5=C(C=C(C=C5)F)F)SC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
• PubChem CID: 9962675
• Peso molecolare: 849.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Benzophenones Aryl-phenylketones Diphenylmethanes Benzamides Benzoyl derivatives N-acylpyrrolidines Thiazolidinediones Fluorobenzenes Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Dicarboximides Thiocarbamic acid derivatives Secondary carboxylic acid amides Dialkylthioethers Sulfenyl compounds Azacyclic compounds Organofluorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenyl compound - Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzamide - Benzoic acid or derivatives - N-acylpyrrolidine - Aryl ketone - Benzoyl - Fluorobenzene - Halobenzene - Thiazolidinedione - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrrolidine - Dicarboximide - Thiazolidine - Tertiary carboxylic acid amide - Vinylogous halide - Secondary carboxylic acid amide - Thiocarbamic acid derivative - Ketone - Carboxamide group - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Carboxylic acid derivative - Thioether - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

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Discover Target: PLA2G6

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PLA2G4A Tchem Cytosolic phospholipase A2 (785 Activities)

Discover Target: PLA2G4A

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Obiettivi associati (non umani)

PLA2G1B Phospholipase A2 group 1B (227 Activities)

Discover Target: PLA2G1B

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO:PBS (pH 7.2) (1:10): 0.1 mg/mL；DMSO: 15 mg/mL；DMF: 12.5 mg/mL
• Sensibilità: Light sensitive；Hygroscopic
• Indice di rifrazione: n20D~1.72 (Predicted)