928006-45-5

Basic information

• Product Name: KYS₀₅₀₇₉
• Synonyms: KYS₀₅₀₇₉
• CAS NO: 928006-45-5
• Molecular Weight: 524.706
• Mol File: 928006-45-5.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: KYS₀₅₀₇₉(CAS DataBase Reference)
• NIST Chemistry Reference: KYS₀₅₀₇₉(928006-45-5)
• EPA Substance Registry System: KYS₀₅₀₇₉(928006-45-5)

Safety Data

• Hazardous Substances Data: 928006-45-5(Hazardous Substances Data)

Upstream product

• 928006-43-3 N-methyl-5-(pyrrolidin-1-yl)pentan-1-amine 
• 839672-50-3 methyl 3-[2-((4-biphenyl)iminomethyleneamino)phenyl]acrylate 
• 612-41-9 2-nitrocinnamic acid 
• 138386-58-0 (E)-methyl 3-[2-(triphenylphosphoranylidenamino)phenyl]-propenoate 
• 88939-75-7 methyl β-(o-aminophenyl)acrylate 
• 39228-29-0 methyl 2-nitrocinnamate 
• 39228-29-0 (E)-methyl 2-nitrocinnamate 
• 1400645-09-1 methyl trans-2-(3-biphenylureido)cinnamate 
• 954-81-4 N-(5-bromopentyl)phthalimide 
• 111-24-0 1,5-dibromo-pentane 
• 928006-41-1 2-(5-(pyrrolidin-1-yl)pentyl)isoindoline-1,3-dione 
• 928006-42-2 t-butyl (5-pyrrolidin-1-ylpentyl)carbamate 
• 71302-71-1 5-(pyrrolidin-1-yl)pentan-1-amine 

Downstream Products

• 928006-47-7 {3-biphenyl-4-yl-2-[methyl-(5-pyrrolidin-1-yl-pentyl)-amino]-3,4-dihydro-quinazolin-4-yl}-acetic acid 

Relevant articles and documents

3,4-Dihydroquinazoline derivatives inhibit the activities of cholinesterase enzymes

A series of 3,4-dihydroquinazoline derivatives consisting of the selected compounds from our chemical library on the diversity basis and the new synthetic compounds were in vitro tested for their inhibitory activities for both acetylcholinesterase (AChE, from electric eel) and butyrylcholinesterase (BChE, from equine serum) enzymes. It was discovered that most of the compounds displayed weak AChE and strong BuChE inhibitory activities. In particular, compound 8b and 8d were the most active compounds in the series against BChE with IC50 values of 45?nM and 62?nM, as well as 146- and 161-fold higher affinity to BChE, respectively. To understand the excellent activity of these compounds, molecular docking simulations were performed to get better insights into the mechanism of binding of 3,4-dihydroquinazoline derivatives. As expected, compound 8b and 8d bind to both catalytic anionic site (CAS) and peripheral site (PS) of BChE with better interaction energy values than AChE, in agreement with our experimental data. Furthermore, the non-competitive/mixed-type inhibitions of both compounds further confirmed their dual binding nature in kinetic studies.

Synthesis and SAR study of T-type calcium channel blockers. Part II

3,4-Dihydroquinazoline derivatives have been known to be the novel and potent T-type calcium channel blockers. From a systematic variation of 3,4-dihydroquinazoline derivative 5c (KYS05043), plausible SAR results were established. It was revealed that a 5-(dimethylamino)pentylamino group at R 1, a biphenyl group at R2, and a benzyl amido group at R3 in the 3,4-dihydroquinazoline backbone are closely related with the channel selectivity (T/N-type) as well as the potency based on the discovery of 6k (KYS05090).

Synthesis and biological evaluation of novel T-type calcium channel blockers

3,4-Dihydroquinazoline analogues substituted by N-methyl-N-(5-pyrrolidinopentyl)amine at the 2-position were synthesized and their blocking effects were evaluated for T- and N-type calcium channels. Compound 11b (KYS05080), compared to mibefradil (IC50 = 1.34 ± 0.49 μM), was about 5-fold potent (IC50 = 0.26 ± 0.01 μM) for T-type calcium channel (α1G) blocking and its selectivity of T/N-type was also improved (7.5 versus 1.4 of mibefradil).