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CAS 81131-48-8

:

Pregnan-20-one, 21-bromo-3,17-dihydroxy-16-methyl-, (3β,5α,16α)-

Description:
Pregnan-20-one, 21-bromo-3,17-dihydroxy-16-methyl-, (3β,5α,16α)-, with the CAS number 81131-48-8, is a synthetic steroid compound that exhibits structural characteristics typical of steroid hormones. It features a pregnane backbone, which is a saturated steroid structure, and includes functional groups such as hydroxyl (-OH) groups at the 3 and 17 positions, contributing to its potential biological activity. The presence of a bromine atom at the 21 position and a methyl group at the 16 position further modifies its chemical properties and may influence its interaction with biological systems. This compound is likely to be of interest in pharmacological research, particularly in the context of its potential effects on hormonal pathways or its utility in medicinal chemistry. Its stereochemistry, indicated by the (3β,5α,16α) configuration, suggests specific spatial arrangements that can affect its binding affinity to receptors and overall biological activity. As with many steroid derivatives, its solubility, stability, and reactivity can vary significantly based on the functional groups present.
Formula:C22H35BrO3
InChI:InChI=1S/C22H35BrO3/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h13-18,24,26H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18+,20+,21+,22+/m1/s1
InChI key:InChIKey=QJSUZHISHKPESJ-RAMAQNDQSA-N
SMILES:C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@@](CC3)(C[C@@H](O)CC4)[H])[H])[H])(C[C@@H](C)[C@@]2(C(CBr)=O)O)[H]
Synonyms:
  • Pregnan-20-one, 21-bromo-3,17-dihydroxy-16-methyl-, (3β,5α,16α)-
  • 5α-Pregnan-20-one, 21-bromo-3β,17-dihydroxy-16α-methyl-
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Found 1 products.
  • (3Beta,16Beta)-21-Bromo-3,17-dihydroxy-16-methyl-pregnan-20-one
    TRC
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    (3Beta,16Beta)-21-Bromo-3,17-dihydroxy-16-methyl-pregnan-20-one

    Controlled Product
    CAS:

    Applications (3β,16β)-21-Bromo-3,17-dihydroxy-16-methyl-pregnan-20-one is an intermediate used in the synthesis of (16β)-21-(Acetyloxy)-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione (A187753), which is a useful intermediate that is used in the synthetic preparation of methylhydroxypregnendione via epoxidation, Grignard addition., and oxidation.
    References Tian, W.; et al.: Faming Zhuanli Shenqing 18pp. Patent 2011 CODEN:CNXXEV

    Formula:C22H35BrO3
    Color and Shape:Neat
    Molecular weight:427.42

    Ref: TR-B750085

    10mg
    330.00€
    25mg
    741.00€
    50mg
    1,394.00€