170564-99-5

Basic information

• Product Name: 4-CYANOPHENYL CYCLOPROPYL KETONE
• Synonyms: 4-CYANOPHENYL CYCLOPROPYL KETONE
• CAS NO: 170564-99-5
• Molecular Formula: C₁₁H₉NO
• Molecular Weight: 171.2
• Mol File: 170564-99-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 339.415°C at 760 mmHg
• Flash Point: 159.073°C
• Appearance: /
• Density: 1.184g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.577
• CAS DataBase Reference: 4-CYANOPHENYL CYCLOPROPYL KETONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CYANOPHENYL CYCLOPROPYL KETONE(170564-99-5)
• EPA Substance Registry System: 4-CYANOPHENYL CYCLOPROPYL KETONE(170564-99-5)

Safety Data

• Hazardous Substances Data: 170564-99-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H9NO/c12-7-8-1-3-9(4-2-8)11(13)10-5-6-10/h1-4,10H,5-6H2

Upstream product

• 6952-89-2 (4-bromophenyl)(cyclopropyl)methanone 
• 544-92-3 copper(I) cyanide 

Downstream Products

• 340188-25-2 4-(R,S)-(4-cyanophenyl)-4-cyclopropyl-2,5-dioxoimidazolidine 
• 340188-28-5 [4-(R,S)-(4-cyanophenyl)-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]acetic acid methyl ester 

Relevant articles and documents

Discovery of an orally active non-peptide fibrinogen receptor antagonist based on the hydantoin scaffold

Antagonists of the platelet fibrinogen receptor (GP IIb/IIIa receptor) are expected to be a promising new class of antithrombotic agents. The binding of fibrinogen to the fibrinogen receptor depends on an Arg-Gly-Asp-Ser (RGDS) tetrapeptide recognition motif. Structural modifications of the RGDS lead have led to the discovery of a non-peptide RGD mimetic GP IIb/IIIa antagonist 44 (S 1197). Compound 44 inhibited, in a dose dependent and reversible manner, human and dog platelet aggregation as well as 125I-fibrinogen binding to ADP-activated human gel filtered platelets and isolated GP IIb/IIIa with Ki values of 9 nM and 0.17 nM, respectively. A pharmacophore mapping procedure with QXP and a 3D-QSAR analysis applying the GRID/GOLPE methodology yielded a stable, rather predictive model and revealed structural features which are important for binding. Hydrophobic substitutions both at the hydantoin nucleus and at the C-terminus increase the affinity toward the fibrinogen receptor. The crystalline ethyl ester prodrug 48 (HMR 1794) is an orally active antithrombotic agent which is a promising drug candidate for the treatment of thrombotic diseases in humans.