Category: 105752-04-3

Blanksma, J. J. published the artcileSweet taste of the 1-halo-2-amino-4-nitrobenzenes, Application In Synthesis of 105752-04-3, the main research area is .

2,4-(O2N)2C6H3F (10 g.) in 50 cc. EtOH and 100 cc. H2O, reduced with 30 g. SnCl2 in dilute HCl and the reduction product distilled with steam, gives, as the nonvolatile fraction, 2,4-O2N(H2N)C6H3F, m. 96°, which is tasteless (Ac derivative, m. 139°, also tasteless); the volatile fraction is 2,4-H2N(O2N)C6H3F, m. 102°; 1 g. in 100 cc. H2O is 40 times as sweet as a solution of 1 g. of sucrose in 100 cc. H2O (used as a standard in all tests); the Ac derivative, m. 178°, is tasteless, as is the 3,5-di-Br derivative, pale yellow, m. 119°. 2,4-H2N(O2N)C6H3Cl is 400 times as sweet as glucose; 100 mg. are soluble in 1 l. H2O at 17°, and 1.5 g. distill with 1000 g. steam; the di-Ac derivative, m. 70°, is tasteless, as is the 3,5-di-Br derivative, m. 99°. 2,4-H2N(O2N)C6H3Br is 800 times as sweet as sucrose; 60 mg. is soluble in 1 l. of H2O at room temperature; 600 mg. pass over with 1 l. steam; the di-Ac derivative, m. 105°; the Bz derivative m. 168°; the carbomethoxy derivative m. 164°; these, as well as the mono-Ac derivative, are tasteless. 2,4-O2N(H2N)C6H3Br and its derivatives are tasteless. 2,4-H2N(O2N)C6H3I, m. 158°, is 1250 times as sweet as sucrose; only 25 mg. pass over with 1 l. H2O and 10 mg. dissolve in 1 l. H2O at room temperature; the 4,2-isomer, m. 142°, is tasteless, as are the Ac and 1,5-I2 derivatives

Recueil des Travaux Chimiques des Pays-Bas et de la Belgique published new progress about Sweetness. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Application In Synthesis of 105752-04-3.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Blanksma, J. J. published the artcileSweet taste of 4-nitro-2-aminotoluene, 4-nitro-2-aminobenzoic acid, and 2-nitro-4-aminobenzoic acid, Recommanded Product: 4-Iodo-3-nitroaniline, the main research area is .

4,2-O2N(H2N)C6H3Me, m. 107°, is 330 times as sweet as sucrose. 2,4-O2N(H2N)C6H3Me, m. 78°, is tasteless with a faintly bitter after-taste. The Ac derivatives of the 2 isomers are tasteless. 4,2-O2N(AcHN)C6H3Me (1 g.) in 250 cc. H2O, oxidized with 1.6 g. KMnO4 in 100 cc. H2O (refluxing 3 hrs.), and the Ac derivative (m. 215°) hydrolyzed with concentrated HCl in EtOH, gives 4,2-O2N(H2N)C6H3CO2H, m. 264°, which is 25 times as sweet as sugar; the Ac derivative, the Me ester, and its Ac derivative, m. 144°, are tasteless. 2,4-O2N(H2N)C6H3CO2H, m. 239°, is 120 times as sweet as sucrose; the Na salt is also very sweet but the Ac derivative is tasteless. o-HOC6H4CO2H has a relative degree of sweetness of 4 but the Na salt is 28 times as sweet as sucrose. There is no noticeable relation between the sweet taste and the local anesthetic activity of these compounds

Recueil des Travaux Chimiques des Pays-Bas et de la Belgique published new progress about Sweetness. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Recommanded Product: 4-Iodo-3-nitroaniline.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Richardson, Mark B. published the artcilePyrocinchonimides Conjugate to Amine Groups on Proteins via Imide Transfer, Quality Control of 105752-04-3, the main research area is pyrocinchonimide conjugate amine protein imide; crystal structure.

Advances in bioconjugation, the ability to link biomols. to each other, small mols., surfaces, and more, can spur the development of advanced materials and therapeutics. The authors have discovered that pyrocinchonimide, the dimethylated analog of maleimide, undergoes a surprising transformation with biomols. The reaction targets amines and involves an imide transfer, which has not been previously reported for bioconjugation purposes. Despite their similarity to maleimides, pyrocinchonimides do not react with free thiols. Though both lysine residues and the N-termini of proteins can receive the transferred imide, the reaction also exhibits a marked preference for certain amines that cannot solely be ascribed to solvent accessibility. This property is peculiar among amine-targeting reactions and can reduce combinatorial diversity when many available reactive amines are available, such as in the formation of antibody-drug conjugates. Unlike amides, the modification undergoes very slow reversion under high pH conditions. The reaction offers a thermodynamically controlled route to single or multiple modifications of proteins for a wide range of applications.

Bioconjugate Chemistry published new progress about Amino group. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Quality Control of 105752-04-3.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Knipe, Peter C. published the artcileRemote conformational control of a molecular switch via methylation and deprotonation, Recommanded Product: 4-Iodo-3-nitroaniline, the main research area is arylcarboxamido benzamido phenylethynylbenzoate preparation conformation hydrogen bonding; dependence conformation arylcarboxamido benzamido phenylethynylbenzoate methylation deprotonation; mol crystal structure arylcarboxamido benzamido phenylethynylbenzoate.

(Arylcarboxamido)(benzamido)phenylethynylbenzoates I (R = H, Me; R1 = H, Me) were prepared and the changes in their conformations due to changes in the chemoselectivity of intramol. hydrogen bonding (whether the ester moiety accepts a hydrogen bond from the unsubstituted or substituted benzamide) were determined relative to compounds in which the benzamides cannot hydrogen bond or in which they are fully hydrogen-bonded. Removal of the Me groups led to increasing hydrogen bonding between the substituted benzamide and the ester moieties. Addition of base to I (R = H; R = Me) yielded a salt in which only the unsubstituted benzamide hydrogen bonded to the ester moiety because of the formation of a stronger hydrogen bond between the phenolate and the substituted benzamide. The structures of I (R = H, Me; R1 = Me) and of the tetrabutylammonium salt of monodeprotonated I (R = H; R1 = Me) were determined by X-ray crystallog., while the structure of the anion of monodeprotonated I (R = H; R1 = Me) was determined by calculation

Organic & Biomolecular Chemistry published new progress about Conformation. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Recommanded Product: 4-Iodo-3-nitroaniline.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Jones, Ian M. published the artcileRedox-dependent conformational switching of diphenylacetylenes, COA of Formula: C6H5IN2O2, the main research area is benzamido diphenylacetylene ferrocene conformation hydrogen bond mol switch.

Herein we describe the design and synthesis of a redox-dependent single-mol. switch. Appending a ferrocene unit to a diphenylacetylene scaffold gives a redox-sensitive handle, which undergoes reversible one-electron oxidation, as demonstrated by cyclic voltammetry anal. 1H-NMR spectroscopy of the partially oxidized switch and control compounds suggests that oxidation to the ferrocenium cation induces a change in hydrogen bonding interactions that results in a conformational switch.

Molecules published new progress about Conformation. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, COA of Formula: C6H5IN2O2.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Wang, Cailan published the artcileMacrocyclic factor XIa inhibitors, Recommanded Product: 4-Iodo-3-nitroaniline, the main research area is macrocyclic phenylimidazole preparation factor XIa inhibitor anticoagulant thromboplastin; Activated partial thromboplastin time; FXIa; Factor XIa inhibitors; Thrombosis; aPTT.

A series of macrocyclic factor XIa (FXIa) inhibitors was designed based on an anal. of the crystal structures of the acyclic phenylimidazole compounds Further optimization using structure-based design led to inhibitors with pM affinity for FXIa, excellent selectivity against a panel of relevant serine proteases, and good potency in the activated partial thromboplastin time (aPTT) clotting assay.

Bioorganic & Medicinal Chemistry Letters published new progress about Anticoagulants. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Recommanded Product: 4-Iodo-3-nitroaniline.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Ghosh, Soumyajit published the artcileCo-crystals of caffeine with substituted nitroanilines and nitrobenzoic acids: Structure-mechanical property and thermal studies, Recommanded Product: 4-Iodo-3-nitroaniline, the main research area is structure mech property thermal cocrystals caffeine; caffeine cocrystal substituted nitroaniline nitrobenzoic acid crystallog.

Nine new 1 : 1 co-crystals of caffeine with some halogenated nitroanilines and two nitrobenzoic acids were synthesized. These new caffeine (CAF) co-crystals, with 4-nitroaniline (4NA), 4-fluoro-3-nitroaniline (4F3NA), 4-chloro-3-nitroaniline (4Cl3NA), 4-iodo-3-nitroaniline (4I3NA), 2-fluoro-5-nitroaniline (2F5NA), 2-chloro-5-nitroaniline (2Cl5NA), 2-iodo-4-nitroaniline (2I4NA), 2,4-dinitrobenzoic acid (24DNB), 2-fluoro-5-nitrobenzoic acid (2F5NB), are characterized by single crystal x-ray diffraction, DSC, TGA and IR spectroscopy. The co-crystals adopt a range of structures, two-dimensional (2D) flat layer, corrugated layer and 3-dimensional interlocked structures. Crystals allowed us to establish a structure-mech. property relation by using a simple mech. deformation (qual.) method. The 2-dimensional flat layer crystals (CAF/24DNB, CAF/2Cl5NA and CAF/2I4NA), which have strong intralayer and weak interlayer interactions show shear deformation behavior, while those with weak intralayer interactions (CAF/4Cl3NA and CAF/4I3NA) show brittle fracture on application of a mech. stress. The structures with corrugated layers (CAF/2F5NA) or 3-dimensional interlocked packing (CAF/NA, CAF/2F5NB and CAF/4F3NA) also show brittle behavior. The authors also show the need for a wide initial search, targeting even the least expected synthons, to improve the efficiency of co-crystal screening.

CrystEngComm published new progress about Brittle fracture. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Recommanded Product: 4-Iodo-3-nitroaniline.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Ott, David E. published the artcileInhibition of Friend virus replication by a compound that reacts with the nucleocapsid zinc finger: anti-retroviral effect demonstrated in vivo, Synthetic Route of 105752-04-3, the main research area is retrovirus replication nucleocapsid zinc finger modulator.

The zinc finger structure that is found in the nucleocapsid protein of nearly all retroviruses has been proposed as a target for antiviral therapy. Since compounds that chem. attack the cysteines of the finger have been shown to inactivate both human immunodeficiency virus type 1 (HIV-1) and murine leukemia virus (MuLV) in vitro, 14 of these compounds were tested in an MuLV-induced Friend disease model to assess their ability to inhibit retroviral replication in vivo. Of the 14 compounds tested, only Aldrithiol-2 clearly exhibited anti-retroviral activity as measured indirectly by the delay of Friend disease onset. These results were confirmed by quant. competitive polymerase chain reaction studies which monitored viral spread by measuring the level of viral DNA in the peripheral blood mononuclear cells of treated mice. Comparison of treated mice with untreated mice revealed that Aldrithiol-2 produced a greater than 2-log reduction in virus levels. These results functionally demonstrate that a zinc finger-attacking compound can inhibit viral replication in vivo. Since only 1 of the 14 compounds studied was effective, this study also shows the importance of in vivo testing of these types of antiviral compounds in an animal model. Given the strict conservation of the metal-coordinating cysteine structure within HIV-1 and MuLV zinc fingers, the results support the proposal that anti-retroviral drugs which target the nucleocapsid zinc finger may be clin. useful against HIV-1.

Virology published new progress about Antiviral agents. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Synthetic Route of 105752-04-3.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Garden, Simon J. published the artcileHydrogen bonding in substituted nitroanilines: hydrogen-bonded sheets in 4-iodo-3-nitroaniline, Related Products of iodides-buliding-blocks, the main research area is mol structure iodonitroaniline; crystal structure iodonitroaniline; hydrogen bonding iodonitroaniline.

In the title compound, C6H5IN2O2, the nitro group is disordered over two sets of sites, each with 0.5 occupancy, and the amino N atom is pyramidal. Crystallog. data are given. The mols. are linked into sheets by a combination of three-center N-H···(O)2 H bonds involving alternative pairs of O-atom sites and two-center N-H···N H bonds involving the pyramidal amino group.

Acta Crystallographica, Section C: Crystal Structure Communications published new progress about Crystal structure. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Related Products of iodides-buliding-blocks.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Fabry, Jan published the artcileHigh- and low-temperature phases in isostructural 4-chloro-3-nitroaniline and 4-iodo-3-nitroaniline, Formula: C6H5IN2O2, the main research area is chloronitroaniline iodonitroaniline temperature isostructure phase; 4-chloro-3-nitroaniline; 4-iodo-3-nitroaniline; Raman; crystal structure; geometric constraints; phase transitions.

The structures of 4-chloro-3-nitroaniline, C6H5ClN2O2, (I), and 4-iodo-3-nitroaniline, C6H5IN2O2, (II), are isomorphs and both undergo continuous (second order) phase transitions at 237 and 200 K, resp. The structures, as well as their phase transitions, have been studied by single-crystal X-ray diffraction, Raman spectroscopy and difference scanning calorimetry experiments Both high-temperature phases (293 K) show disorder of the nitro substituents, which are inclined towards the benzene-ring planes at two different orientations. In the low-temperature phases (120 K), both inclination angles are well maintained, while the disorder is removed. Concomitantly, the b axis doubles with respect to the room-temperature cell. Each of the low-temperature phases of (I) and (II) contains two pairs of independent mols., where the mols. in each pair are related by noncrystallog. inversion centers. The mols. within each pair have the same absolute value of the inclination angle. The Flack parameter of the low-temperature phases is very close to 0.5, indicating inversion twinning. This can be envisaged as stacking faults in the low-temperature phases. It seems that competition between the primary amine-nitro N-H···O hydrogen bonds which form three-centered hydrogen bonds is the reason for the disorder of the nitro groups, as well as for the phase transition in both (I) and (II). The backbones of the structures are formed by N-H···N hydrogen bonding of moderate strength which results in the graph-set motif C(3). This graph-set motif forms a zigzag chain parallel to the monoclinic b axis and is maintained in both the high- and the low-temperature structures. The primary amine groups are pyramidal, with similar geometric values in all four determinations The high-temperature phase of (II) has been described previously [Garden et al. (2004). Acta Crystalline C60, o328-o330].

Acta Crystallographica, Section C: Structural Chemistry published new progress about Crystal structure. 105752-04-3 belongs to class iodides-buliding-blocks, name is 4-Iodo-3-nitroaniline, and the molecular formula is C6H5IN2O2, Formula: C6H5IN2O2.

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com