Letrozole NEW

Chinese name: Letrozole

English name: Letrozole

CAS: 112809-51-5

Molecular formula: C17H11N5

MDL number: MFCD00866241

Molecular weight: 285.3

Appearance: White or white powder

Appearance: Melting point 181 ~ 183℃

Melting point: 181-183°C

Boiling point: 563.5±60.0 °C(Predicted)

Density: 1.21± 0.1g /cm3(Predicted)

Storage conditions: 2-8°C

Solubility: dimethyl sulfoxide: >50mg/mL

Acidity coefficient (pKa) : 1.52±0.11(Predicted)

Form: White powder

Color: White to off-white

Merck: 14,5450

InChI: InChI = 1 s/C17H11N5 / c18-9-13-1-5-15 17 (22-12-20-22-12-20) (6-2-13) 16-7-3-14 (10-19)/h1-4-8-16 8, 11-12 H

InChIKey: HPJKCIUCZWXJDR-UHFFFAOYSA-N

SMILES: C (C1 = CC = C (C = C1) C # N) (C1 = CC = C (C = C1) C # N) N1C = NC = N1

Use 1

Pyrrole aromatization enzyme inhibitors. Used to treat breast cancer.

Preparation method

4-bromomethyl benzonitrile (I) reacts with triazole in chloroforme-acetonitrile, and the resulting product (II) reacts with 4-fluoronitrile in dimethylformamide in the presence of potassium tert-butanol to obtain letrozole.