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2,2,2-Trifluoro-N-[(S)-5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalene-7-yl]acetamide is a complex organic compound with a unique molecular structure. It is characterized by its trifluoroacetamide group and a highly functionalized benzo[a]heptalene core. 2,2,2-Trifluoro-N-[(S)-5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalene-7-yl]acetamide is known for its role as an intermediate in the synthesis of pharmaceuticals, specifically in the production of N-Desacetyl Thiocolchicoside (D291005).

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  • 2,2,2-Trifluoro-N-[(S)-5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalene-7-yl]acetamide

    Cas No: 123643-51-6

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  • 123643-51-6 Structure
  • Basic information

    1. Product Name: 2,2,2-Trifluoro-N-[(S)-5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalene-7-yl]acetamide
    2. Synonyms: (S)-1-Methoxy-2-methyloxy-3-hydroxy-7-(trifluoroacetylamino)-10-methylthio-6,7-dihydrobenzo[a]heptalen-9(5H)-one;2,2,2-Trifluoro-N-[(S)-5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalene-7-yl]acetamide
    3. CAS NO:123643-51-6
    4. Molecular Formula:
    5. Molecular Weight: 0
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 123643-51-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2,2,2-Trifluoro-N-[(S)-5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalene-7-yl]acetamide(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2,2,2-Trifluoro-N-[(S)-5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalene-7-yl]acetamide(123643-51-6)
    11. EPA Substance Registry System: 2,2,2-Trifluoro-N-[(S)-5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalene-7-yl]acetamide(123643-51-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 123643-51-6(Hazardous Substances Data)

123643-51-6 Usage

Uses

Used in Pharmaceutical Synthesis:
2,2,2-Trifluoro-N-[(S)-5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalene-7-yl]acetamide is used as an intermediate in the synthesis of N-Desacetyl Thiocolchicoside (D291005) for its role in the production of Thiocolchicoside (T344385). Thiocolchicoside is a GABA receptor antagonist prescribed as a muscle relaxant with analgesic effects, making this compound a crucial component in the development of medications for muscle-related conditions.
Used in Muscle Relaxant Applications:
In the pharmaceutical industry, 2,2,2-Trifluoro-N-[(S)-5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalene-7-yl]acetamide is used as a key intermediate for the synthesis of Thiocolchicoside, a muscle relaxant. The compound is valuable for its ability to help alleviate muscle pain and spasms, providing relief to patients suffering from various muscle-related conditions.
Used in Analgesic Applications:
Furthermore, 2,2,2-Trifluoro-N-[(S)-5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalene-7-yl]acetamide contributes to the development of analgesic medications. As a part of the synthesis process for Thiocolchicoside, this compound plays a significant role in creating drugs that can effectively manage pain, particularly muscle pain, without causing the user to become drowsy or sedated.

Check Digit Verification of cas no

The CAS Registry Mumber 123643-51-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,3,6,4 and 3 respectively; the second part has 2 digits, 5 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 123643-51:
(8*1)+(7*2)+(6*3)+(5*6)+(4*4)+(3*3)+(2*5)+(1*1)=106
106 % 10 = 6
So 123643-51-6 is a valid CAS Registry Number.

123643-51-6Downstream Products

123643-51-6Relevant articles and documents

Antitubulin Effects of Derivatives of 3-Demethylthiocolchicine, Methylthio Ethers of Natural Colchicinoids, and Thioketones Derived from Thiocolchicine. Comparison with Colchicinoids

Muzaffar, Anjum,Brossi, Arnold,Lin, Chii M.,Hamel, Ernest

, p. 567 - 571 (2007/10/02)

Esterification of the phenolic group in 3-demethylthiocolchicine and exchange of the N-acetyl group with other N-acyl groups or a N-carbalkoxy group afforded many compounds which showed superior activity over the parent drug as inhibitors of tubulin polymerization and of the growth of L1210 murine leukemia cells in culture.A comparison of naturally occuring Colchicum alkaloids with thio isosters, obtained by replacing of the OMe group at C(10) with a SCH3 group, showed the thio ethers to be invariably more potent in these assays.The comparison included3-demethylthiodemecolcine prepared from 3-demethylthiocolchicine by partial synthesis.Thiation of thiocolchicine with Lawesson's reagent afforded novel thiotropolones which exhibited high antitubulin activity.Their structures are fully secured by spectral data.Colchicine and several of its analogues show good antitumor effect in mice infected with P388 lymphocytic leukemia, and all of them show high affinity for tubulin and inhibit tubulin polymerization at low concentration.Consequently, antitubulin assays with this class of compounds can serve as valuable prescreens for the initial evaluation of potential antitumor drugs.

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