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CAS 1788055-11-7

:

(2R)-3,4-Dihydro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1H-pyrazol-1-yl)phenyl]methyl]-2H-1,4-benzoxazine-2-carboxamide

Description:
The chemical substance known as (2R)-3,4-Dihydro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1H-pyrazol-1-yl)phenyl]methyl]-2H-1,4-benzoxazine-2-carboxamide, with the CAS number 1788055-11-7, is characterized by its complex molecular structure, which includes a benzoxazine core, a carboxamide functional group, and multiple stereocenters. This compound features a dihydrobenzoxazine moiety, indicating it has undergone partial hydrogenation, contributing to its stability and reactivity. The presence of a hydroxycyclohexyl group suggests potential for hydrogen bonding and interactions with biological targets, while the pyrazole-phenyl substituent may enhance its pharmacological properties. The stereochemistry indicated by the (R) and (S) designations implies that the compound may exhibit specific chiral properties, which can influence its biological activity and interactions. Overall, this compound is likely to be of interest in medicinal chemistry, potentially serving as a lead compound for drug development due to its unique structural features and functional groups.
Formula:C25H28N4O3
InChI:InChI=1S/C25H28N4O3/c30-22-8-3-1-6-20(22)27-25(31)24-17-28(21-7-2-4-9-23(21)32-24)16-18-10-12-19(13-11-18)29-15-5-14-26-29/h2,4-5,7,9-15,20,22,24,30H,1,3,6,8,16-17H2,(H,27,31)/t20-,22-,24+/m0/s1
InChI key:InChIKey=LZCHTDQRMCSDSE-ODGPQVTHSA-N
SMILES:C(N1C=2C(O[C@@H](C(N[C@@H]3[C@@H](O)CCCC3)=O)C1)=CC=CC2)C4=CC=C(C=C4)N5C=CC=N5
Synonyms:
  • (2R)-3,4-Dihydro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1H-pyrazol-1-yl)phenyl]methyl]-2H-1,4-benzoxazine-2-carboxamide
  • VU 0486846
  • 2H-1,4-Benzoxazine-2-carboxamide, 3,4-dihydro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1H-pyrazol-1-yl)phenyl]methyl]-, (2R)-
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Found 1 products.
  • VU0486846
    Biosynth
    + Info

    VU0486846

    CAS:
    <p>VU0486846 is a novel, non-competitive, allosteric modulator of nicotinic acetylcholine receptors. It is a potent inhibitor of the high-affinity choline uptake system and prevents the accumulation of acetylcholine in tissues. VU0486846 has shown efficacy in preclinical models in which it was able to enhance responsiveness to acetylcholine. As an allosteric modulator, VU0486846 binds to a different site on the receptor than acetylcholine, and thereby reduces the number of acetylcholine molecules required for activation. This pharmacokinetic profile could potentially allow for lower doses of this drug to be administered, with fewer side effects.</p>
    Formula:C25H28N4O3
    Purity:Min. 95%
    Molecular weight:432.5 g/mol

    Ref: 3D-NWC05511

    25mg
    797.00€
    50mg
    1,203.00€
    100mg
    1,924.00€