40503-20-6

Basic information

• Product Name: 4-hydroxy-4-(3-(trifluoromethyl)phenyl)cyclohexan-1-one
• Synonyms: 4-hydroxy-4-(3-(trifluoromethyl)phenyl)cyclohexan-1-one
• CAS NO: 40503-20-6
• Molecular Weight: 258.24
• Mol File: 40503-20-6.mol

Chemical Properties

• CAS DataBase Reference: 4-hydroxy-4-(3-(trifluoromethyl)phenyl)cyclohexan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-hydroxy-4-(3-(trifluoromethyl)phenyl)cyclohexan-1-one(40503-20-6)
• EPA Substance Registry System: 4-hydroxy-4-(3-(trifluoromethyl)phenyl)cyclohexan-1-one(40503-20-6)

Safety Data

• Hazardous Substances Data: 40503-20-6(Hazardous Substances Data)

Upstream product

• 4746-97-8 cyclohexanedione monoethylene ketal 
• 401-78-5 3-bromo-1-trifluoromethylbenzene 
• 13482-22-9 4-hydroxycyclohexanone 
• 402-26-6 3-(trifluoromethyl)phenylmagnesium bromide 

Downstream Products

• 42020-87-1 Methanesulfonic acid 4-methoxy-4-(3-trifluoromethyl-phenyl)-cyclohexyl ester 
• 40503-39-7 Methanesulfonic acid 4-(3-trifluoromethyl-phenyl)-cyclohex-3-enyl ester 
• 50372-13-9 4-Methoxy-4-(3-trifluoromethyl-phenyl)-cyclohexanol 
• 50372-08-2 4-Methoxy-4-(3-trifluoromethyl-phenyl)-cyclohexanone 
• 40503-30-8 4-m-Trifluormethylphenyl-cyclohex-3-en-1-ol 
• 50372-01-5 4,4-Dimethoxy-1-(3-trifluoromethyl-phenyl)-cyclohexanol 
• 40503-93-3 4-(3-(trifluoromethyl)phenyl)cyclohexan-1-one 

Relevant articles and documents

Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor

Transient receptor potential vanilloid 6 (TRPV6) is a calcium channel implicated in multifactorial diseases and overexpressed in numerous cancers. We recently reported the phenyl-cyclohexyl-piperazine cis-22a as the first submicromolar TRPV6 inhibitor. This inhibitor showed a seven-fold selectivity against the closely related calcium channel TRPV5 and no activity on store-operated calcium channels (SOC), but very significant off-target effects and low microsomal stability. Here, we surveyed analogues incorporating structural features of the natural product capsaicin and identified 3OG, a new oxygenated analog with similar potency against TRPV6 (IC50 = 0.082 ± 0.004 μM) and ion channel selectivity, but with high microsomal stability and very low off-target effects. This natural product-inspired inhibitor does not exhibit any non-specific toxicity effects on various cell lines and is proposed as a new tool compound to test pharmacological inhibition of TRPV6 mediated calcium flux in disease models.