25115-74-6

Basic information

• Product Name: 4-CYANO-4-PHENYLCYCLOHEXANONE
• Synonyms: TIMTEC-BB SBB008596;4-CYANO-4-PHENYLCYCLOHEXANONE;4-oxo-1-phenylcyclohexanenitrile;4-CYANO-4-PHENYLCYCLOHEXANONE 97%;1-Phenyl-4-oxo-1-cyclohexanecarbonitrile;1-Phenyl-4-oxocyclohexanecarbonitrile;4-Oxo-1-phenylcyclohexanecarbonitrile;4-Cyano-4-phenylcyclohexanone,97%
• CAS NO: 25115-74-6
• Molecular Formula: C₁₃H₁₃NO
• Molecular Weight: 199.25
• EINECS: 246-631-7
• Mol File: 25115-74-6.mol
• Article Data: 16

Chemical Properties

• Melting Point: 114-119 °C
• Boiling Point: 336.78°C (rough estimate)
• Flash Point: 182.8 °C
• Appearance: White to beige/Crystalline Solid
• Density: 1.0671 (rough estimate)
• Vapor Pressure: 6.22E-06mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 2645593
• CAS DataBase Reference: 4-CYANO-4-PHENYLCYCLOHEXANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CYANO-4-PHENYLCYCLOHEXANONE(25115-74-6)
• EPA Substance Registry System: 4-CYANO-4-PHENYLCYCLOHEXANONE(25115-74-6)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 36/37/39-26
• RIDADR: UN3439
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 25115-74-6(Hazardous Substances Data)

Usage

Chemical Properties

WHITE TO BEIGE CRYSTALLINE SOLID

InChI:InChI=1/C13H13NO/c14-10-13(8-6-12(15)7-9-13)11-4-2-1-3-5-11/h1-5H,6-9H2

Upstream product

• 38289-20-2 methyl 5-cyano-5-phenyl-2-oxocyclohexanecarboxylate 
• 51509-98-9 8-Phenyl-1,4-dioxaspiro<4.5>decan-8-carbonitril 
• 38289-18-8 dimethyl 4-cyano-4-phenylheptanedioate 
• 140-29-4 phenylacetonitrile 
• 1189795-95-6 5-cyano-2-oxo-5-phenyl-cyclohexane carboxylic acid ethyl ester 
• 56326-94-4 methyl 5-cyano-5-(4-chlorophenyl)-2-oxocyclohexanecarboxylate 
• 58199-02-3 sodium 4-cyano 4-phenyl 2-methoxy carbonyl cyclohex-1-enolate 
• 75945-89-0 2.2-Bis-β-chlorethyl-1.3-dioxolan 
• 3592-25-4 1,5-dichloropentan-3-one 
• 303728-44-1 4-Cyano-4-phenylcyclohex-1-enyl acetate 

Downstream Products

• 51509-98-9 8-Phenyl-1,4-dioxaspiro<4.5>decan-8-carbonitril 
• 37408-67-6 2-(4-Cyano-4-phenyl-cyclohex-1-enyl)-propionic acid ethyl ester 
• 75945-90-3 4-Oxo-1-phenyl-cyclohexancarbonsaeuremethylester 
• 73735-97-4 1-phenyl-4-{4-[1-(phenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl}cyclohexanecarbonitrile 
• 98088-81-4 4-{4-[1-(4-Fluoro-benzyl)-1H-benzoimidazol-2-ylamino]-piperidin-1-yl}-1-phenyl-cyclohexanecarbonitrile 
• 25115-76-8 3-Brom-4-oxo-1-phenylcyclohexan-1-carbonitril 
• 960368-06-3 C₂₆H₂₇F₃N₂O₂ 
• 199383-77-2 (S)-4-Cyano-4-phenylcyclohex-1-enyl acetate 
• 303728-44-1 4-Cyano-4-phenylcyclohex-1-enyl acetate 

Relevant articles and documents

Antimalarial activity of 2,6-dibenzylidenecyclohexanone derivatives

Malaria remains one of the deadliest infectious diseases worldwide and continues to infect hundreds of millions of individuals each year. Here we report the discovery and derivatization of a series of 2,6-dibenzylidenecyclohexanones targeting the chloroquine-sensitive 3D7 strain of Plasmodium falciparum. While the initial lead compound displayed significant toxicity in a human cell proliferation assay, we were able to identify a derivative with no detectable toxicity and sub-micromolar potency.

Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV

The successful launches of dipeptidyl peptidase IV (DPP IV) inhibitors as oral anti-diabetics warrant and spur the further quest for additional chemical entities in this promising class of therapeutics. Numerous pharmaceutical companies have pursued their proprietary candidates towards the clinic, resulting in a large body of published chemical structures associated with DPP IV. Herein, we report the discovery of a novel chemotype for DPP IV inhibition based on the C-(1-aryl-cyclohexyl)-methylamine scaffold and its optimization to compounds which selectively inhibit DPP IV at low-nM potency and exhibit an excellent oral pharmacokinetic profile in the rat. 2014 Elsevier Ltd. All rights reserved.

SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES

The invention relates to compounds that have an affinity to the μ-opioid receptor and the ORL 1-receptor, methods for their production, medications containing these compounds and the use of these compounds for the treatment of pain and other conditions.