CAS 100827-80-3

Methyl 5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-thieno[2,3-e]-1,4-diazepine-7-propanoate

Description:

Methyl 5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-thieno[2,3-e]-1,4-diazepine-7-propanoate, with the CAS number 100827-80-3, is a synthetic organic compound characterized by its complex heterocyclic structure. This compound features a thieno[2,3-e]-1,4-diazepine core, which is a bicyclic system containing both sulfur and nitrogen atoms, contributing to its unique chemical properties. The presence of a 2-chlorophenyl group enhances its potential for biological activity, possibly influencing its pharmacological profile. The methyl ester functional group indicates that it can undergo hydrolysis to yield the corresponding acid, which may have different reactivity and solubility characteristics. This compound may exhibit various properties such as moderate to high lipophilicity, which can affect its absorption and distribution in biological systems. Additionally, its structural features suggest potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. However, specific data regarding its solubility, melting point, and reactivity would require empirical investigation or literature reference for precise characterization.

Formula: C₁₇H₁₅ClN₂O₃S

InChI: InChI=1S/C17H15ClN2O3S/c1-23-15(22)7-6-10-8-12-16(11-4-2-3-5-13(11)18)19-9-14(21)20-17(12)24-10/h2-5,8H,6-7,9H2,1H3,(H,20,21)

InChI key: InChIKey=UHPPTVSGIOBODT-UHFFFAOYSA-N

SMILES: C(CC(OC)=O)C1=CC=2C(=NCC(=O)NC2S1)C3=C(Cl)C=CC=C3

Synonyms:

• 1H-Thieno[2,3-e]-1,4-diazepine-7-propanoic acid, 5-(2-chlorophenyl)-2,3-dihydro-2-oxo-, methyl ester
• Methyl 5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-thieno[2,3-e]-1,4-diazepine-7-propanoate

7-(2-Carbomethoxyethyl)-5-(2-chlorophenyl)-thieno-1,4-diazepin-2-one

CAS: 100827-80-3

Formula: C₁₇H₁₅ClN₂O₃S

Color and Shape: Solid

Molecular weight: 362.8306

Ref: IN-DA0002ZB

7-(2-Carbomethoxyethyl)-5-(2-chlorophenyl)-thieno-1,4-diazepin-2-one

Controlled Product

CAS: 100827-80-3

Applications Intermediate in the preparation of platelet-activating factor (PAF) antagonists
References Bechtel, W.D., et al.: J. Pharm. Sci., 74, 1265 (1985),

Formula: C₁₇H₁₅ClN₂O₃S

Color and Shape: Neat

Molecular weight: 362.83

Ref: TR-C176620

7-(2-Carbomethoxyethyl)-5-(2-chlorophenyl)-thieno-1,4-diazepin-2-one

Controlled Product

CAS: 100827-80-3

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Formula: C₁₇H₁₅ClN₂O₃S

Purity: Min. 95%

Molecular weight: 362.83 g/mol

Ref: 3D-FC19719