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CAS 180185-61-9

:

(2R,4S)-(-)-N-[4-(Diethoxyphosphorylmethyl)phenyl]-4-methyl-7,8-(methylenedioxy)-5-oxo-1,2,4,5-tetrahydro-3-benzothiepine-2-carboxamide

Description:
The chemical substance with the name "(2R,4S)-(-)-N-[4-(Diethoxyphosphorylmethyl)phenyl]-4-methyl-7,8-(methylenedioxy)-5-oxo-1,2,4,5-tetrahydro-3-benzothiepine-2-carboxamide" and CAS number "180185-61-9" is a complex organic compound characterized by its unique stereochemistry and functional groups. It features a tetrahydro-benzothiepine core, which is a bicyclic structure that includes a sulfur atom, contributing to its potential biological activity. The presence of a diethoxyphosphorylmethyl group indicates that it may exhibit phosphonate characteristics, which can enhance its reactivity and interaction with biological targets. The methylenedioxy group suggests potential for additional reactivity or interaction with biological systems, while the carboxamide functional group may influence solubility and hydrogen bonding capabilities. Overall, this compound's intricate structure and functional groups suggest it could be of interest in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals, although specific biological activities would require further investigation.
Formula:C24H28NO7PS
InChI:InChI=1S/C24H28NO7PS/c1-4-31-33(28,32-5-2)13-16-6-8-18(9-7-16)25-24(27)22-11-17-10-20-21(30-14-29-20)12-19(17)23(26)15(3)34-22/h6-10,12,15,22H,4-5,11,13-14H2,1-3H3,(H,25,27)/t15-,22+/m0/s1
InChI key:WXACSCNLLDFZHE-OYHNWAKOSA-N
SMILES:CCOP(=O)(CC1=CC=C(C=C1)NC(=O)[C@H]2CC3=CC4=C(C=C3C(=O)[C@@H](S2)C)OCO4)OCC
Synonyms:
  • Tak-778-Sr
  • Tak-778
  • (6R,8S)-(-)-N-[4-(Diethoxyphosphorylmethyl)phenyl]-8-methyl-9-oxo-5,6,8,9-tetrahydrothiepino[4,5-f]-1,3-benzodioxole-6-carboxamide
Found 2 products.
  • TAK-778
    Targetmol
    + Info

    TAK-778

    CAS:
    TAK-778, a derivative of ipriflavone, demonstrates the ability to stimulate bone growth in both in vitro and in vivo models.
    Formula:C24H28NO7PS
    Purity:97.72%
    Color and Shape:Solid
    Molecular weight:505.52

    Ref: TM-T13913

  • TAK 778
    TRC
    + Info

    TAK 778

    Controlled Product
    CAS:
    Formula:C24H28NO7PS
    Color and Shape:Neat
    Molecular weight:505.52

    Ref: TR-T004885

    500mg
    9,732.00€