Chinese name: Anastrozole

English name: Anastrozole

CAS: 120511-73-1

Molecular formula: C17H19N5

MDL number: MFCD00866298

Molecular weight: 293.37

Appearance: White or white powder, odorless, tasteless.

Solubility: slightly soluble in acetone or chloroform, almost insoluble in ethanol, insoluble in water, dissolved in glacial acetic acid.

Melting point: 81-82°C

Boiling point: 469.7±55.0 °C(Predicted)

Density: 1.08± 0.1g /cm3(Predicted)

Storage condition: room temp

Solubility: DMSO: soluble 40mg/mL

Acidity coefficient (pKa) : 2.62±0.10(Predicted)

Form: solid

BCS Class: 1 (LogP), 3 (CLogP)

InChI: InChI = 1 s/C17H19N5 / c1-16 (2, 9 to 18) 14-5-13 (8-22-12-8-22-12-22) 6-15 (7 to 14) 17 (3, 4) for seven, 11 and 12-19 / h5-10 h, 8 h2, h3 1-4

InChIKey: YBBLVLTVTVSKRW-UHFFFAOYSA-N

SMILES: C # (N) C (C1 = CC (CN2C = = N2) NC = CC (C (N) C # (C) C) = C1) (C) C

Use 1

A potent and selective triazole aromatase inhibitor that inhibits cytochrome P-450 dependent aromatase and thus blocks the biosynthesis of estrogen, a major factor in breast cancer cell growth. Treatment of breast cancer, especially for advanced breast cancer in postmenopausal women who have recurred after hormone-assisted therapy.

Preparation method

The compound (I)(available for preparation) is brominated by n-bromosuccinimide (NBS), and the product (II) is treated with sodium triazole to obtain the product.