536974-76-2

Basic information

• Product Name: 2-BROMO-4-(HYDROXYMETHYL)PHENYL BENZOATE
• Synonyms: 2-BROMO-4-(HYDROXYMETHYL)PHENYL BENZOATE
• CAS NO: 536974-76-2
• Molecular Formula: C₁₄H₁₁BrO₃
• Molecular Weight: 307.13934
• Mol File: 536974-76-2.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-BROMO-4-(HYDROXYMETHYL)PHENYL BENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMO-4-(HYDROXYMETHYL)PHENYL BENZOATE(536974-76-2)
• EPA Substance Registry System: 2-BROMO-4-(HYDROXYMETHYL)PHENYL BENZOATE(536974-76-2)

Safety Data

• Hazardous Substances Data: 536974-76-2(Hazardous Substances Data)

Upstream product

• 123-08-0 4-hydroxy-benzaldehyde 
• 2973-78-6 3-bromo-4-hydroxybenzylaldehyde 
• 536974-75-1 3-bromo-4-benzoyloxybenzaldehyde 

Downstream Products

• 946007-56-3 4-benzoyloxy-3-bromobenzyl chloride 
• 536974-78-4 benzoic acid 2-bromo-4-{[(4-cyanophenyl)[1,2,4]triazol-4-ylamino]methyl}phenyl ester 
• 537674-84-3 4-[(3-Bromo-4-hydroxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole 
• 536974-77-3 3-bromo-4-benzoyloxybenzyl bromide 

Relevant articles and documents

Dual aromatase-steroid sulfatase inhibitors

By introducting the steroid sulfatase inhibitory pharmacophore into aromatase inhibitor 1 (YM511), two series of single agent dual aromatase-sulfatase inhibitors (DASIs) were generated. The best DASIs in'vitro (JEG-3 cells) are 5, (IC50(aromatase) = 0.82 nM; IC 50(sulfatase) = 39 nM), and 14, (IC50(aromatase) = 0.77 nM; IC50(sulfatase) = 590 nM). X-ray crystallography of 5, and docking studies of selected compounds into an aromatase homology model and the steroid sulfatase crystal structure are presented. Both 5 and 14 inhibit aromatase and sulfatase in PMSG pretreated adult female Wistar rats potently 3 h after a single oral 10 mg/kg dose. Almost complete dual inhibition is observed for 5 but the levels were reduced to 85% (aromatase) and 72% (sulfatase) after 24 h. DASI 5 did not inhibit aldosterone synthesis. The development of a potent and selective DASI should allow the therapeutic potential of dual aromatase-sulfatase inhibition in hormone-dependent breast cancer to be assessed.

First dual aromatase-steroid sulfatase inhibitors

Aromatase inhibitors in clinical use block the biosynthesis of estrogens. Hydrolysis of estrone 3-sulfate by steroid sulfatase is an important additional source of tumor estrogen, and blockade of both enzymes should provide a more effective endocrine therapy. Sulfamoylated derivatives of the aromatase inhibitor YM511 inhibited sulfatase and aromatase in JEG-3 cells with respective IC50 values of 20-227 and 0.82-100 nM (cf. letrozole, 0.89 nM). One dual inhibitor was potent against both enzymes in vivo, validating the concept.