537674-63-8

Basic information

• Product Name: 4-[(3-benzyloxybenzyl)[1,2,4]triazol-4-ylamino]benzonitrile
• Synonyms: 4-[(3-benzyloxybenzyl)[1,2,4]triazol-4-ylamino]benzonitrile
• CAS NO: 537674-63-8
• Molecular Weight: 381.437
• Mol File: 537674-63-8.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 4-[(3-benzyloxybenzyl)[1,2,4]triazol-4-ylamino]benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-[(3-benzyloxybenzyl)[1,2,4]triazol-4-ylamino]benzonitrile(537674-63-8)
• EPA Substance Registry System: 4-[(3-benzyloxybenzyl)[1,2,4]triazol-4-ylamino]benzonitrile(537674-63-8)

Safety Data

• Hazardous Substances Data: 537674-63-8(Hazardous Substances Data)

Upstream product

• 1700-30-7 (3-(benzyloxy)phenyl)methanol 
• 1194-02-1 4-fluorobenzonitrile 
• 1700-31-8 3-benzyloxybenzyl bromide 
• 148869-66-3 4-[N-(1,2,4-triazol-4-yl)amino]benzonitrile 

Downstream Products

• 537674-64-9 4-[(3-Hydroxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole 

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.

Compound

There is provided a compound of Formula I 1 wherein each T is independently selected from H, hydrocarbyl, —F—R, and a bond with one of D, E, P or Q, or together with one of P and Q forms a ring; Z is a suitable atom the valency of which is m; D, E and F are each independently of each other an optional linker group, wherein when Z is nitrogen E is other than CH2 and C═O; P, Q and R are independently of each other a ring system; and at least Q comprises a sulphamate group.