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CAS 1853279-29-4

:

B-[(7α,17β)-17-Hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-3-yl]boronic acid

Description:
B-[(7α,17β)-17-Hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-3-yl]boronic acid, with CAS number 1853279-29-4, is a complex organic compound characterized by its boronic acid functional group, which is known for its ability to form reversible covalent bonds with diols. This compound features a steroidal backbone, specifically an estradiol derivative, which contributes to its biological activity. The presence of a sulfinyl group and a pentafluoropentyl substituent enhances its lipophilicity and may influence its pharmacokinetic properties. The structural configuration, including stereochemistry at the 7α and 17β positions, is crucial for its interaction with biological targets, potentially making it relevant in medicinal chemistry, particularly in the development of therapeutic agents. Additionally, the boronic acid moiety may facilitate interactions with biomolecules, such as proteins or nucleic acids, through boronate ester formation. Overall, this compound exemplifies the intricate design often found in pharmaceutical chemistry, combining elements of organic synthesis and biological functionality.
Formula:C32H48BF5O4S
InChI:InChI=1S/C32H48BF5O4S/c1-30-17-15-26-25-12-11-24(33(40)41)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-43(42)19-9-16-31(34,35)32(36,37)38/h11-12,21-22,26-29,39-41H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,43?/m1/s1
InChI key:InChIKey=FIAYIYKWRBIBQG-GDWZZRAASA-N
SMILES:C(CCCCCCCCS(CCCC(C(F)(F)F)(F)F)=O)[C@H]1[C@@]2([C@@](C=3C(C1)=CC(B(O)O)=CC3)(CC[C@@]4(C)[C@]2(CC[C@@H]4O)[H])[H])[H]
Synonyms:
  • Boronic acid, B-[(7α,17β)-17-hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-3-yl]-
  • ZB716
  • ZB 716
  • Fulvestrant-3-boronic Acid
  • B-[(7α,17β)-17-Hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-3-yl]boronic acid
Found 2 products.
  • Fulvestrant-3-boronic acid
    Targetmol
    + Info

    Fulvestrant-3-boronic acid

    CAS:
    Fulvestrant-3-boronic acid (ZB716) is an oral SERD that binds ERα (IC₅₀=4.1 nM) and induces degradation for ER-positive breast cancer research.
    Formula:C32H48BF5O4S
    Molecular weight:634.59

    Ref: TM-T9663

  • ZB716
    Biosynth
    + Info

    ZB716

    CAS:

    ZB716 is a novel, orally bioavailable compound that inhibits the activity of CDK4/6 and shows promise in the treatment of cancers. It has been shown to inhibit tumor growth in xenograft models. ZB716 is a selective CDK4/6 inhibitor that binds to the ATP pocket on both CDK4 and CDK6, preventing phosphorylation and downstream activation of these kinases. This inhibition causes cell cycle arrest at the G2-M phase transition and inhibits cell growth. ZB716 has been shown to reduce estrogen receptor modulators in human liver samples via competitive inhibition.

    Formula:C32H48BF5O4S
    Purity:Min. 95%
    Molecular weight:634.6 g/mol

    Ref: 3D-DZC27929

    2mg
    560.00€
    5mg
    766.00€