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

CAS: 341973-06-6 Cat. No.: P333300 Molecular Weight: 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

Overview

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

Specifications

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

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
• Molecular Weight: 849.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

PLA2G6 Tchem 85/88 kDa calcium-independent phospholipase A2 (1 Activities)

Discover Target: PLA2G6

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

PLA2G4A Tchem Cytosolic phospholipase A2 (785 Activities)

Discover Target: PLA2G4A

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

Associated Targets(non-human)

PLA2G1B Phospholipase A2 group 1B (227 Activities)

Discover Target: PLA2G1B

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO:PBS (pH 7.2) (1:10): 0.1 mg/mL；DMSO: 15 mg/mL；DMF: 12.5 mg/mL
• Sensitivity: Light sensitive；Hygroscopic
• Refractive Index: n20D~1.72 (Predicted)