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Pyrrophenone , CAS No.341973-06-6
an inhibitor of cytosolic PLA2
Basic Description
| 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 |
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| Specifications & Purity | ≥98% |
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| Storage Temp | Protected from light,Store at -20°C |
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| Shipped In | Ice chest + Ice pads |
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| Product Description | Pyrrophenone is a potent and specific cytosolic phospholipase A2α (cPLA2α) inhibitor with an IC50 value of 4.2 nM
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Names and Identifiers
| 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 |
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| INCHI | 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 |
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| InChi Key | XSCZRVUQXBBTRO-MKNPRXRUSA-N |
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| 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 |
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| 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 |
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| PubChem CID | 9962675 |
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| Molecular Weight | 849.96 |
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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 |
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| Sensitivity | Light sensitive；Hygroscopic |
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| Refractive Index | n20D~1.72 (Predicted) |
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