Cas no 87424-26-8 (2-Demethyl Thiocolchicine)

2-Demethyl Thiocolchicine is a thiocolchicine derivative characterized by the absence of a methyl group at the 2-position of the colchicine backbone. This structural modification alters its binding affinity to tubulin, potentially influencing its biological activity and selectivity. The compound is of interest in medicinal chemistry and pharmacological research due to its potential as a precursor or intermediate in the synthesis of colchicine-based therapeutics. Its unique structure may offer advantages in studying structure-activity relationships (SAR) for tubulin-targeting agents, particularly in the development of anti-inflammatory or anticancer compounds. The thiocolchicine scaffold is known for its enhanced stability compared to colchicine, making this derivative a valuable tool for mechanistic investigations.
2-Demethyl Thiocolchicine structure
2-Demethyl Thiocolchicine structure
Product Name:2-Demethyl Thiocolchicine
CAS No:87424-26-8
MF:C21H23NO5S
MW:401.476024866104
CID:889872
PubChem ID:55708
Update Time:2025-06-09

2-Demethyl Thiocolchicine Chemical and Physical Properties

Names and Identifiers

    • 2-demethylthiocolchicine
    • Acetamide, N-(5,6,7,9-tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)-
    • N-[(7S)-2-hydroxy-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
    • O(sup 2)-Demethyl-10-thiocolchicine
    • COLCHICINE, O(sup 2)-DEMETHYL-10-THIO-
    • 4-14-00-00957 (Beilstein Handbook Reference)
    • NSC 369937
    • N-(2-Hydroxy-1,3-dimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide
    • BRN 3176298
    • DTXSID40236341
    • 2-Demethyl Thiocolchicine
    • N-((S)-2-Hydroxy-1,3-dimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide
    • 87424-26-8
    • CHEMBL277239
    • BDBM50064482
    • Acetamide, N-[(7S)-5,6,7,9-tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-
    • Inchi： 1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(26-2)20(25)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1
    • InChI Key： OMQLBXIHBJAOIO-HNNXBMFYSA-N
    • SMILES： S(C)C1=CC=C2C3C(=C(C(=CC=3CC[C@@H](C2=CC1=O)NC(C)=O)OC)O)OC

Computed Properties

  • Exact Mass: 401.12969401g/mol
  • Monoisotopic Mass: 401.12969401g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 728
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 110?2

Experimental Properties

  • Melting Point: 218-220°C

2-Demethyl Thiocolchicine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D231325-10mg
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 $155.00 2023-05-18
TRC
D231325-100mg
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SHENG KE LU SI SHENG WU JI SHU
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SHENG KE LU SI SHENG WU JI SHU
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 ￥2,256.00 2023-07-11

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