680190-95-8

Upstream product

• 68819-84-1 tert-butyl N-(4-bromobenzyl)carbamate 
• 1066-54-2 trimethylsilylacetylene 
• 16004-15-2 1-bromomethyl-4-iodobenzene 
• 26177-44-6 4-bromobenzylamine hydrochloride 
• 24424-99-5 di-tert-butyl dicarbonate 
• 680190-94-7 1-azidomethyl-4-iodo-benzene 
• 39959-59-6 4-iodobenzyl amine 
• 189132-01-2 4-[(N-tert-butyloxycarbonylamino)methyl]iodobenzene 

Downstream Products

• 721968-87-2 (4-trimethylsilylethynyl)benzylamine acetic acid salt 
• 1482499-10-4 C₂₉H₂₆Fe₂N₂O₇S₂ 
• 1381949-73-0 ditert-butyl ((ethyne-1,2-diylbis(4,1-phenylene))bis(methylene))dicarbamate 
• 803704-45-2 4,4'-butadiynedibenzylamine 
• 935528-07-7 (4-ethynylphenyl)methanamine monohydrochloride 
• 680190-96-9 tert-butyl N-(4-ethynylbenzyl)carbamate 

Relevant academic research and scientific papers

The Delicate Balance of Preorganisation and Adaptability in Multiply Bonded Host–Guest Complexes

Rigidity and preorganisation are believed to be required for high affinity in multiply bonded supramolecular complexes as they help reduce the entropic penalty of the binding event. This comes at the price that such rigid complexes are sensitive to small geometric mismatches. In marked contrast, nature uses more flexible building blocks. Thus, one might consider putting the rigidity/high-affinity notion to the test. Multivalent crown/ammonium complexes are ideal for this purpose as the monovalent interaction is well understood. A series of divalent complexes with different spacer lengths and rigidities has thus been analysed to correlate chelate cooperativities and spacer properties. Too long spacers reduce chelate cooperativity compared to exactly matching ones. However, in contrast to expectation, flexible guests bind with chelate cooperativities clearly exceeding those of rigid structures. Flexible spacers adapt to small geometric host–guest mismatches. Spacer–spacer interactions help overcome the entropic penalty of conformational fixation during binding and a delicate balance of preorganisation and adaptability is at play in multivalent complexes.

Pyrimidine or pyridine pyridine ketone compound and its preparation method and application (by machine translation)

The invention discloses a kind of type I of the pyrimidine or pyridine pyridine ketone compound and its preparation and application, which belongs to the technical field of pharmaceutical preparation. The compounds have high-efficient and selectively inhibit the cell cycle dependent kinases (Cdks) CDK4 and CDK6 active, and then by inhibiting CDK4/CDK6 prevent tumor cell division. Therefore, the compounds of this invention can be used for CDK4 and CDK6 the involved in cell cycle control disorders result in various diseases, especially suitable for the treatment of malignant tumors. (by machine translation)

Luminescence and Relaxometric Properties of Heteropolymetallic Metallostar Complexes with Selectively Incorporated Lanthanide(III) Ions

The synthesis and characterization of two diethylenetriaminepentaacetic acid (DTPA) based heteropolymetallic metallostar lanthanide complexes with the general formulas (GdL1)3Ln and (GdL2)3Ln are described. The

Exceptional poly(acrylic acid)-based artificial [FeFe]-hydrogenases for photocatalytic H2 production in water

Light, polymer, action: A set of water-soluble poly(acrylic acid) catalysts PAA-g-Fe2S2 containing {Fe2S2}, an [FeFe]-hydrogenase active-site mimic, is synthesized. This system, combined with CdSe quantum dots a

Degenerate molecular shuttles with flexible and rigid spacers

The preparation and dynamic behavior of degenerate rotaxane molecular shuttles are described in which a benzylic amide macrocycle moves back and forth between two naphthalimide-glycine units along a diphenylethyne spacer or an aliphatic spacer consisting of a C9, C12, or C 26 alkyl chain. Subtle differences in the 1H NMR spectra of the rotaxanes can be related to the presence of conformers in which the macrocycle interacts simultaneously with both glycines, especially in the case of the C9 spacer. The kinetic data of the shuttling behavior in the C26 rotaxane were obtained from dynamic NMR spectroscopy. The Eyring activation parameters were found to be ΔH? = 10 ± 1 kcal mol-1, ΔS? = -6.5 ± 2.0 cal mol-1 K-1, ΔG?298 = 11.9 ± 0.2 kcal mol-1. For the systems with the shorter spacers, the shuttling rates were higher. Also in the diphenylethyne, rotaxane shuttling is rapid on the NMR time scale, indicating that the rigid unit does not impose a large barrier to the translocation of the macrocycle.

Lacosamide isothiocyanate-based agents: Novel agents to target and identify lacosamide receptors

(R)-Lacosamide ((R)-2, (R)-N-benzyl 2-acetamido-3-methoxypropionamide) has recently gained regulatory approval for the treatment of partial-onset seizures in adults.Whole animal pharmacological studies have documented that (R)-2 function is unique. A robust strategy is advanced for the discovery of interacting proteins associated with function and toxicity of (R)-2 through the use of (R)-2 analogues, 3, which contain "affinity bait (AB)" and "chemical reporter (CR)" functional groups. In 3, covalent modification of the interacting proteins proceeds at the AB moiety, and detection or isolation of the selectively captured protein occurs through the bioorthogonal CR group upon reaction with an appropriate probe. We report the synthesis, pharmacological evaluation, and interrogation of the mouse soluble brain proteome using 3 where the AB group is an isothiocyanate moiety. One compound, (R)-N-(4-isothiocyanato)benzyl 2-acetamido-3-(prop-2-ynyloxy) propionamide ((R)-9), exhibited excellent seizure protection in mice, and like (R)-2, anticonvulsant activity principally resided in the (R)-stereoisomer. Several proteins were preferentially labeled by (R)-9 compared with (S)-9, including collapsin response mediator protein 2. 2009 American Chemical Society.

Novel N-substituted indol-3-ylglyoxylamides probing the LDi and L1/L2 lipophilic regions of the benzodiazepine receptor site in search for subtype-selective ligands

Novel N-substituted indol-3-ylglyoxylamides (10-37) were synthesized and evaluated as ligands of the benzodiazepine receptor (BzR). In an effort to achieve affinity-based selectivity among BzR subtypes, these compounds were designed to probe the LDi

AMIDE COMPOUND AND METHOD OF CONTROLLING PLANT DISEASE WITH THE SAME

A amid compound of the formula (1): wherein, in the formula, R51 represents a halogen atom, a C1-C6 alkyl group and the like; R52 represents a hydrogen atom, a halogen atom, a C1-C6 alkyl group and the like; R53 represents a halogen atom and the like; R56 represents a halogen atom and the like; R57 represents a hydrogen atom and the like; R58 and R59 independently represent a hydrogen atom, a C1-C3 alkyl group and the like; R60 represents a C1-C4 alkyl group, a C1-C4 haloalkyl group, a C3-C4 alkenyl group, or a C3-C6 alkynyl group; R61 represents a C1-C4 alkyl group, a C1-C4 haloalkyl group, a C3-C4 alkenyl group or a C3-C6 alkynyl group or a C2-C4 cyanoalkyl group; R62, R63 and R64 represent a hydrogen atom, a halogen atom and the like; X represents a oxygen atom or a sulfur atom; has an excellent activity against plant diseases.

N-[4-(Methylsulfonylamino)benzyl]thiourea analogues as vanilloid receptor antagonists: Analysis of structure-activity relationships for the 'C-Region'

We recently reported that N-(4-t-butylbenzyl)-N′-[4- (methylsulfonylamino)benzyl] thiourea (2) was a high affinity antagonist of the vanilloid receptor with a binding affinity of Ki=63 nM and an antagonism of Ki=53.9 nM in rat VR1 heterologously expressed in Chinese hamster ovary (CHO) cells (Mol. Pharmacol. 2002, 62, 947-956). In an effort to further improve binding affinity and antagonistic potency, we have modified the C-region of the lead 4-t-butylbenzyl group with diverse surrogates, such as araalkyl, alkyl, 4-alkynylbenzyl, indanyl, 3,3-diarylpropyl, 4-alkoxybenzyl, 4-substituted piperazine and piperidine. The lipophilic surrogates, arylalkyl and alkyl, conferred modest decreases in binding affinities and antagonistic potencies; the groups having heteroatoms resulted in dramatic decreases. Our findings indicate that 4-t-butylbenzyl is one of the most favorable groups for high receptor binding and potent antagonism to VR1 in this structural series.

Single-crystal-to-single-crystal polymerization of 4,4′- butadiynedibenzylammonium disorbate

Solid-state polymerization of 4,4′-butadiynedibenzylammonium disorbate was investigated. The quantitative polymer yield of the diene moieties was achieved under UV-, X-ray, and γ-ray irradiation, whereas the conversion of diyne moieties was low. X-ray cry