CAS 94087-98-6

Pregna-1,4-diene-3,20-dione, 11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(phosphonooxy)-, disodium salt, (11β,16α)-

Description:

Pregna-1,4-diene-3,20-dione, 11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(phosphonooxy)-, disodium salt, commonly referred to by its CAS number 94087-98-6, is a synthetic steroid compound that exhibits characteristics typical of glucocorticoids. This compound features a steroid backbone with multiple functional groups, including hydroxyl and phosphonooxy groups, which contribute to its biological activity. The presence of the disodium salt form enhances its solubility in aqueous environments, making it suitable for pharmaceutical applications. Its structural modifications, such as the 11-hydroxy and 16,17-[(1-methylethylidene)bis(oxy)] groups, are significant for its receptor binding affinity and pharmacological effects. This compound is primarily studied for its potential anti-inflammatory and immunosuppressive properties, often utilized in the treatment of various conditions, including autoimmune disorders. As with many steroid derivatives, its mechanism of action involves modulation of gene expression through interaction with glucocorticoid receptors, leading to a wide range of physiological effects.

Formula: C₂₄H₃₃O₉P·2Na

InChI: InChI=1S/C24H33O9P.2Na/c1-21(2)32-19-10-16-15-6-5-13-9-14(25)7-8-22(13,3)20(15)17(26)11-23(16,4)24(19,33-21)18(27)12-31-34(28,29)30;;/h7-9,15-17,19-20,26H,5-6,10-12H2,1-4H3,(H2,28,29,30);;/t15-,16-,17-,19+,20+,22-,23-,24+;;/m0../s1

InChI key: InChIKey=IJQFMTQZFGKDGK-PXQDNWDYSA-N

SMILES: C(COP(=O)(O)O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(C)(C)O2)[H])([C@]4([C@]([C@@H](O)C3)([C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H])[H].[Na]

Synonyms:

• 2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv.
• Pregna-1,4-diene-3,20-dione, 11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-21-(phosphonooxy)-, disodium salt, (11beta,16alpha)-
• Pregna-1,4-diene-3,20-dione, 11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(phosphonooxy)-, disodium salt, (11β,16α)-