537674-79-6

Basic information

• Product Name: 4-((4-(benzyloxy)-3-methoxybenzyl)(4H-1,2,4-triazol-4-yl)amino)benzonitrile
• Synonyms: 4-((4-(benzyloxy)-3-methoxybenzyl)(4H-1,2,4-triazol-4-yl)amino)benzonitrile
• CAS NO: 537674-79-6
• Molecular Weight: 411.463
• Mol File: 537674-79-6.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 4-((4-(benzyloxy)-3-methoxybenzyl)(4H-1,2,4-triazol-4-yl)amino)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-((4-(benzyloxy)-3-methoxybenzyl)(4H-1,2,4-triazol-4-yl)amino)benzonitrile(537674-79-6)
• EPA Substance Registry System: 4-((4-(benzyloxy)-3-methoxybenzyl)(4H-1,2,4-triazol-4-yl)amino)benzonitrile(537674-79-6)

Safety Data

• Hazardous Substances Data: 537674-79-6(Hazardous Substances Data)

Upstream product

• 33693-48-0 4-benzyloxy-3-methoxybenzyl alcohol 
• 1194-02-1 4-fluorobenzonitrile 
• 2426-87-1 3-methoxy-4-(phenylmethoxy)benzaldehyde 
• 72724-00-6 1-(benzyloxy)-4-(bromomethyl)-2-methoxybenzene 
• 148869-66-3 4-[N-(1,2,4-triazol-4-yl)amino]benzonitrile 

Downstream Products

• 537674-80-9 4-((4-hydroxy-3-methoxybenzyl)(4H-1,2,4-triazol-4-yl)amino)benzonitrile 

Relevant articles and documents

Design and synthesis of carbon-11-labeled dual aromatase-steroid sulfatase inhibitors as new potential PET agents for imaging of aromatase and steroid sulfatase expression in breast cancer

Aromatase and steroid sulfatase (STS) are particularly attractive targets in the treatment of estrogen-receptor-positive breast cancer and the development of enzyme-based cancer imaging agents for the biomedical imaging technique positron emission tomography (PET). New carbon-11-labeled sulfamate derivatives were first designed and synthesized as potential PET dual aromatase-steroid sulfatase inhibitor (DASSI) radiotracers for imaging of aromatase and STS expression in breast cancer. The target tracers 5-(((4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino)methyl)-2-[11C]methoxyphenyl sulfamate ([11C]8a) and 4-(((4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino)methyl)-2-[11C]methoxyphenyl sulfamate ([11C]8b) were prepared from their corresponding precursors 5-(((4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino)methyl)-2-hydroxyphenyl sulfamate (16) and 4-(((4-cyanophenyl)(4H-1,2,4-triazol-4-yl)amino)methyl)-2-hydroxyphenyl sulfamate (21) with [11C]CH3OTf under basic conditions through the O-[11C]methylation and isolated by the reversed-phase high pressure liquid chromatography (HPLC) method in 30-45% radiochemical yields based on [11C]CO2 and decay corrected to end of bombardment (EOB). The specific activity at end of synthesis (EOS) was 111-185 GBq/μmol.

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.