32357-75-8

Usage

InChI:InChI=1/C12H15NO2/c1-3-10-4-6-11(7-5-10)13-12(15)8-9(2)14/h4-7H,3,8H2,1-2H3,(H,13,15)

Upstream product

• 872-50-4 1-methyl-pyrrolidin-2-one 
• 35213-56-0 2-chloro-6-ethyl-4-methylquinoline 
• 50-01-1 guanidine hydrochloride 
• 105-45-3 acetoacetic acid methyl ester 
• 589-16-2 4-aminoethylbenzene 
• 674-82-8 4-methyleneoxetan-2-one 

Downstream Products

• 51592-38-2 6-ethyl-4-methyl-1H-quinolin-2-one 
• 896091-12-6 5-cyano-N-(4-ethylphenyl)-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}thio)-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxamide 
• 1448815-90-4 N-methylmorpholinium 3-cyano-5-{[(4-ethylphenyl)amino]carbonyl}-4-(2-furyl)-6-methyl-1,4-dihydropyridine-2-thiolate 

Relevant academic research and scientific papers

Inhibitors of tick-borne flavivirus reproduction from structure-based virtual screening

Flaviviruses form a large family of enveloped viruses affecting millions of people over the world. To date, no specific therapy was suggested for the infected people, making the treatment exclusively symptomatic. Several attempts were performed earlier for the design of fusion inhibitors for mosquito-borne flaviviruses, whereas for the tick-borne flaviviruses such design had not been performed. We have constructed homology models of envelope glycoproteins of tick-transmitted flaviviruses with the detergent binding pocket in the open state. Molecular docking of substituted 1,4-dihydropyridines and pyrido[2,1-b][1,3,5]thiadiazines was made against these models, and 89 hits were selected for the in vitro experimental evaluation. Seventeen compounds showed significant inhibition against tick-borne encephalitis virus, Powassan virus, or Omsk hemorrhagic fever virus in the 50% plaque reduction test in PEK cells. These compounds identified through rational design are the first ones possessing reproduction inhibition activity against tick-borne flaviviruses.

Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors

This invention provides compounds having the structure: wherein X=CH, C(CH3) or N; each of R1, R2, R3, R4 and R5 is independently H, C1-C10 straight chained or branched alkyl, C2-C10 straight chained or branched alkenyl, C2-C10 straight chained or branched alkynyl, C3-C10 cycloalkyl, substituted or unsubstituted aryl, hydroxy, halogenated ether, nitro, amino, halogen, —CN, —C(═Z)R6, —C(═Z)OR6, —C(═Z)N(R6)2, —N(R6)—C(═Z)R6, —N(R6)—C(═Z)N(R6)2, —OC(═Z)R6, —C(═Z)OR6—OR6 or —SR6; wherein Z is O or S; and wherein R6 is C1-C10 straight chained or branched alkyl, aryl, (CH2)nQ, C2-C10 alkenyl, C3-C10 cycloalkyl, C5-C10 cycloalkenyl, wherein Q is OR7, SR7, N(R7)2 or aryl, wherein R7 is H, alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, wherein R2 and R3 and the carbons to which they are attached form a fused aryl, heteroaryl, C5-C10 cyclic alkyl or heterocyclic alkyl ring; or wherein R3 and R4 and the carbons to which they are attached form a fused aryl, heteroaryl, cyclic alkyl or heterocyclic alkyl ring; and wherein each alkyl, alkenyl, alkynyl and alkoxy group is optionally substituted with a substituent independently selected from Ra, where Ra is 1) hydroxy, 2) C1-C10 alkoxy, 3) halogen, 4) nitro, 5) amino, 6) CF3, or 7) carboxy, and each cycloalkyl group is optionally substituted with a substituent independently selected from Rb, where Rb is 1) a group selected from Ra, 2) C1-C7 alkyl, 3) C2-C7 alkenyl, 4) C2-C7 alkynyl or 5) cyclic C1-C10 alkyl, and each aryl is optionally substituted with R1. This invention also provides methods of treating pain, urge incontinence; as well as methods of preparing the compounds.

Compounds for the treatment of pain

This invention provides methods of treating pain, urinary incontinence and other abnormalities mediated by a NPFF receptor, which comprises administering to a subject a therapeutically effective amount of a chemical compound which acts at the NPFF1 receptor, the NPFF2 receptor, or at both the NPFF1 and NPFF2 receptors.

4-isoxazolecarboxamide derivatives

This invention is directed to compounds of the formula (I): STR1 wherein R1 is --OR4 (where R4 is hydrogen, lower alkyl, lower hydroxyalkyl, phenyl, phenyl-lower-alkyl, or --(CH2)n Y where n is an integer from 1 to 4 and Y is morpholino, -SR5, --C(O)OR5, --C(O)N(R6)2, --N(R6)2, or --N+ (R6)3 X-, in which R5 is lower alkyl, each R6 is independently selected from hydrogen or lower alkyl, and X is halogen) or --SR7 (where R7 is lower alkyl, phenyl-lower-alkyl, or --(CH2)n W where W is --N(R6)2 or --N+ (R6)3 X-, and n, R6 and X are as previously defined); R2 is lower alkyl, phenyl or phenyl-lower-alkyl; R3 is halo, hydroxy, lower alkyl, lower alkoxy, lower haloalkyl, lower haloalkoxy, or --C(O)OR5 where R5 is as previously defined; and Z is a bond, 2,5-thienyl or 2,5-furanyl; or a pharmaceutically acceptable salt thereof. These compounds are useful in treating inflammation, autoimmune disease or allograft rejection in mammals.