CAS 87424-26-8

N-[(7S)-5,6,7,9-Tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide

Description:

N-[(7S)-5,6,7,9-Tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide, with the CAS number 87424-26-8, is a complex organic compound characterized by its unique structural features, including a tetrahydrobenzo[a]heptalene core. This compound contains multiple functional groups, such as hydroxyl, methoxy, and acetamide, which contribute to its chemical reactivity and potential biological activity. The presence of a methylthio group enhances its lipophilicity, potentially influencing its pharmacokinetic properties. The stereochemistry indicated by the (7S) designation suggests specific spatial arrangements that may be crucial for its interaction with biological targets. This compound may exhibit various properties, including solubility in organic solvents and potential activity in medicinal chemistry, particularly in the context of drug development. Its complex structure and functional groups suggest that it could participate in various chemical reactions, making it of interest in both synthetic and medicinal chemistry research. Further studies would be necessary to elucidate its specific applications and biological effects.

Formula: C₂₁H₂₃NO₅S

InChI: 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: InChIKey=OMQLBXIHBJAOIO-HNNXBMFYSA-N

SMILES: O(C)C1=C2C=3C([C@@H](NC(C)=O)CCC2=CC(OC)=C1O)=CC(=O)C(SC)=CC3

Synonyms:

• 2-Demethylthiocolchicine
• Acetamide, N-(5,6,7,9-tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo(a)heptalen-7-yl)-, (S)-
• Acetamide, N-[(7S)-5,6,7,9-tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-
• Benzo[a]heptalene, acetamide deriv.
• N-[(7S)-5,6,7,9-Tetrahydro-2-hydroxy-1,3-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide
• NSC 369937

2-Demethyl Thiocolchicine

Controlled Product

CAS: 87424-26-8

Applications Has shown anti-tumor activity.

Formula: C₂₁H₂₃NO₅S

Color and Shape: Neat

Molecular weight: 401.48

Ref: TR-D231325

2-Demethyl Thiocolchicine

CAS: 87424-26-8

Formula: C₂₁H₂₃NO₅S

Molecular weight: 401.5

Ref: ST-EA-CP-C33011