Lapatinib is an organofluorine compound, an organochlorine compound, a member of quinazolines and a member of furans. It has a role as an antineoplastic agent and a tyrosine kinase inhibitor. It is functionally related to a monofluorobenzene.
Structures of some approved and reported ErbB family inhibitors: Lapatinib, TAK-285
The alignment between the bioactive conformer of lapatinib (I) (colored in violet) and the docked pose (colored in green) at EGFR binding site.
Left: Docking of lapatinib (I) in EGFR binding site (PDB code: 1XKK) showing H bonds with met793 and π interaction with Lys 745. Right: Docking of (TAK285) (III) in HER-2 binding site (PDB code: 3RCD) showing H bond with met801.
Doxorubicin is a deoxy hexoside, an anthracycline, an anthracycline antibiotic, an aminoglycoside, a member of tetracenequinones, a member of p-quinones, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It has a role as an Escherichia coli metabolite. It is a conjugate base of a doxorubicin(1+). It derives from a hydride of a tetracene.
Structures of L-daunosamine 1, L-3-epi-daunosamine 2, L-ristosamine 3, L-acosamine 4, and the anthracycline antibiotics daunorubicin 5, doxorubicin 6, carubicin 7, idarubicin 8, and epirubicin 9.
Thymectacin, a phosphoramidate derivative of (E)-5-(2-bromovinyl)-2'-deoxyuridine, is a novel small molecule anticancer agent. Thymectacin is selectively active against tumor cells expressing high levels of thymidylate synthase (TS), a critical enzyme in DNA biosynthesis. Thymectacin was as efficacious as irinotecan, a drug recently approved for the treatment of 5-fluorouracil-resistant colon cancer.
Known ProTides: SOFOSBUVIR, GS-9131, GS-7340, Thymectacin, NUC-1031.
K-11777 is a cysteine protease inhibitor that acts as a broad-spectrum antiviral, by targeting cathepsin-mediated cell entry.
Michael acceptor inhibitors.
a) Docking pose of inhibitor 6 (magenta) superimposed with K11777 (orange) in complex with rhodesain (PDB ID: 2P7U). b) Proposed docking pose of inhibitor 6 (magenta) in complex with rhodesain.
Febrifugine, a quinazolinone alkaloid that inhibits P. falciparum and has antimalarial activity, is an excellent compound that can be used to block the proliferation of malarial parasites.
Cyclopropyl radical is a highly reactive organic intermediate characterized by a three-membered cyclopropane ring bearing an unpaired electron on one of the carbon atoms.
LED-mediated cyclopropane synthesis. [a] Using trans-b-methylstyrene. [b] Using cis-b-methylstyrene. [c] 20 equiv of styrene. [d] Violet LED used. Also 27% of malonate dimer by H NMR. 1[e] Using soluble ylide 1o.
Mycophenolic acid is a potent immunosuppressant agent that inhibits de novo purine biosynthesis. It was derived from Penicillium stoloniferum, and has also shown antibacterial, antifungal and antiviral properties.. Mycophenolic acid is used in immunosuppressive regimens as part of a triple therapy that includes a calcineurin inhibitor (ciclosporin or tacrolimus) and prednisolone.
Mycophenolic acid (MPA), one of the most potent inhibitors of human IMPDH (Ki ) 10 nM), binds at the NAD binding domain of the enzyme and is used in clinic as an immunosuppressant. C2-MAD was found to be more potent than MPA in both antileukemic activity and the ability to induce differentiation.
We replaced the carboxylic group of MPA with a hydroxamic acid moiety and synthesized hydroxamic acid analogue 9 (MAHA, Figure 4).
o-Chloranil, also known as 3,4,5,6-tetrachloro-1,2-benzoquinone, is a yellow crystalline organic compound. Structurally, it is a chlorinated derivative of ortho-benzoquinone, featuring four chlorine atoms substituted at the 3, 4, 5, and 6 positions of the benzene ring. It is a strong oxidizing agent and is used primarily as an intermediate in organic synthesis, particularly in dye manufacturing, pharmaceuticals, and agrochemicals.
Quinones with high oxidation potential: 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone, p-Chloranil, o-Chloranil
Deprotection of PMB group using catalytic amount of RPI Pt and o-chloranil.
Comparison between a catalytic amount and a stoichiometric amount of o-chloranil in the oxidation of tetrahydroquinoline derivative.
Fucose is an unusual sugar that is present in a variety of glycolipids and glycoproteins produced by mammalian cells.
Glycomimetic scaffolds designed to mimic (A) mannose and (B) fucose. Hydroxyl groups typically involved in C-type lectin binding are highlighted in red.
Preparation of Fucose-Saccharosamine Disaccharide Glycals 11-12 and 14-15
Dapivirine is a diarylpyrimidine non-nucleoside reverse transcriptase inhibitor. Dapivirine has activity against wild-type virus strains and strains harboring different NNRTI resistance-inducing mutations and may have direct virucidal activity.
Chemical structures of DAPY, DATA and target compounds.