736115-77-8

Basic information

• Product Name: 2-benzyloxycarbonylamino-3-{2-[4-(4-carbamimidoyl-phenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-acetylamino}-propionic acid tert-butyl ester
• Synonyms: 2-benzyloxycarbonylamino-3-{2-[4-(4-carbamimidoyl-phenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-acetylamino}-propionic acid tert-butyl ester
• CAS NO: 736115-77-8
• Molecular Weight: 566.614
• Mol File: 736115-77-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2-benzyloxycarbonylamino-3-{2-[4-(4-carbamimidoyl-phenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-acetylamino}-propionic acid tert-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-benzyloxycarbonylamino-3-{2-[4-(4-carbamimidoyl-phenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-acetylamino}-propionic acid tert-butyl ester(736115-77-8)
• EPA Substance Registry System: 2-benzyloxycarbonylamino-3-{2-[4-(4-carbamimidoyl-phenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-acetylamino}-propionic acid tert-butyl ester(736115-77-8)

Safety Data

• Hazardous Substances Data: 736115-77-8(Hazardous Substances Data)

Upstream product

• 169808-01-9 [(R,S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid methyl ester 
• 169808-00-8 4-(R,S)-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidine 
• 35761-26-3 (S)-3-amino-2-(((benzyloxy)carbonyl)amino)propanoic acid 
• 1443-80-7 4-cyanophenyl methyl ketone 
• 77215-55-5 tert-butyl 2-N-carbobenzoxy-(S)-2,3-diaminopropionate 

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.