Category: 6972-05-0

Dai, Chaoyang published the artcile2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors, Computed Properties of 6972-05-0, the publication is Bioorganic & Medicinal Chemistry Letters (2011), 21(10), 3172-3176, database is CAplus and MEDLINE.

TNF-¦Á converting enzyme (TACE) inhibitors are promising agents to treat inflammatory disorders and cancer. We have investigated novel tartrate diamide TACE inhibitors where the tartrate core binds to zinc in a unique tridentate fashion. Incorporating (R)-2-(2-N-alkylaminothiazol-4-yl)pyrrolidines into the left hand side amide of the tartrate scaffold led to the discovery of potent and selective TACE inhibitors, some of which exhibited good rat oral bioavailability.

Bioorganic & Medicinal Chemistry Letters published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Computed Properties of 6972-05-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Mayrand, Robert R. published the artcileUrea and ethylene glycol-facilitated transport systems in the human red cell membrane. Saturation, competition, and asymmetry, Name: 1,1-Dimethylthiourea, the publication is Journal of General Physiology (1983), 81(2), 221-37, database is CAplus and MEDLINE.

The equilibrium exchange of [¹⁴C]urea and ethylene glycol was measured using a new type of fast flow system. Approx. equal volumes of saline and air were mixed to form a segmented fluid stream into which ¹⁴C-loaded red cells are injected. The stream flows through 3 filter chambers which allow sampling of the ¹⁴C in the extracellular fluid at 3 time points. The chambers are designed so that they do not disrupt the segmented bubble pattern. The alternating air and saline segments prevent laminar dispersion in the flowing stream and ensure good mixing at the injection and sampling sites. The equilibrium exchange of both urea and ethylene glycol showed saturation kinetics. The maximum permeability (P₀) measured in the limit of zero solute concentration is 1.16 ¡Á 10^-3 cm/s for urea and 4.8 ¡Á 10^-4 cm/s for ethylene glycol (23¡ã). The apparent dissociation constant (K_m) was 218 mM for urea and 175 mM for ethylene glycol. The P₀ for thiourea is 2.3 ¡Á 10^-6 cm/s and the K_m is 19 mM. Urea and thiourea inhibit the transport of each other and the inhibition constant (K_i) is approx. equal to the K_m for both compounds Fifty-three other analogs of urea were screened for their inhibition of urea or thiourea transport. Several analogs [e.g., 1-(3,4-dichloro-phenyl)-2-thiorea] had a K_i in the range of 0.03 mM. The affinity of the inhibitor increased as it was made more hydrophobic. The urea analogs did not significantly inhibit the ethylene glycol or osmotic permeability. Glycerol inhibited ethylene glycol permeability with a K_i of 1200 mM.

Journal of General Physiology published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Name: 1,1-Dimethylthiourea.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Latosinska, J. N. published the artcileNature of Isomerism of Solid Isothiourea Salts, Inhibitors of Nitric Oxide Synthases, As Studied by ¹H-¹⁴N Nuclear Quadrupole Double Resonance, X-ray, and Density Functional Theory/Quantum Theory of Atoms in Molecules, Name: 1,1-Dimethylthiourea, the publication is Journal of Physical Chemistry A (2012), 116(5), 1445-1463, database is CAplus and MEDLINE.

Isothioureas, inhibitors of nitric oxide synthases, have been studied exptl. in solid state by nuclear quadrupole double resonance (NQDR) and X-ray methods and theor. by the quantum theory of atoms in mols./d. functional theory. Resonance frequencies on ¹⁴N have been detected and assigned to particular nitrogen sites in each mol. The crystal packings of (S)-3,4-dichlorobenzyl-N-methylisothiouronium chloride with the disordered chlorine positions in benzene ring and (S)-butyloisothiouronium bromide have been resolved in X-ray diffraction studies. ¹⁴N NQDR spectra have been found good indicators of isomer type and strength of intra- or intermol. N-H¡¤¡¤¡¤X (X = Cl, Br) interactions. From among all salts studied, only for (S)-2,3,4,5,6-pentabromobenzylisothiouronium chloride are both nitrogen sites equivalent, which has been explained by the slow exchange. This unique structural feature can be a key factor in the high biol. activity of (S)-2,3,4,5,6-pentabromobenzylisothiouronium salts.

Journal of Physical Chemistry A published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Name: 1,1-Dimethylthiourea.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Feeny, Rachel M. published the artcileSultam thioureas: synthesis and antiviral activity against West Nile virus, Category: catalysis-chemistry, the publication is Synlett (2012), 23(2), 301-305, database is CAplus.

The syntheses of eleven sultam thioureas, including nine new compounds, are described. These compounds were synthesized from thioureas and include the first sultam thioureas in which the two thiourea nitrogen groups are not identical. In addition, the first X-ray crystal structures of sultam thioureas and the antiviral activity of these compounds against West Nile virus (WNV) are reported.

Synlett published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Kurfurst, Antonin published the artcile4-(5-Phenyl-1,3,4-oxadiazol-2-yl)biphenyl-4′-carboxylic acid: its functional derivatives and their heterocyclization into 1,3-thiazine-6-thiones, Safety of 1,1-Dimethylthiourea, the publication is Collection of Czechoslovak Chemical Communications (1990), 55(11), 2722-30, database is CAplus.

The title acid (I; R = CO₂H) was prepared by hypobromite oxidation of acetyl derivative (I; R = COMe). The C-acylation of Cl₂C:CH₂ with acyl chloride (I; R = COCl) gave dichloroethenyl ketone (I; R = COCH:CCl₂), which on cyclocondensation with appropriate thioamides gave thiazinethiones (II; R¹ = Me, Ph, SMe, NH₂, NMe₂; X = O, S) and (III).

Collection of Czechoslovak Chemical Communications published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Safety of 1,1-Dimethylthiourea.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Notzel, Marcus W. published the artcileCyclopropyl building blocks in organic synthesis. 66. A new and efficient access to thiazoline-4-carboxylates and cysteine derivatives incorporating cyclopropyl groups, SDS of cas: 6972-05-0, the publication is European Journal of Organic Chemistry (2001), 3025-3030, database is CAplus.

Under basic conditions (NaHCO₃, MeCN), thiocarboxamides, including N,N-thioureas, cleanly undergo Michael addition onto 2-chloro-2-cyclopropylideneacetates, attacking through the sulfur, and this is followed by an intramol. substitution to afford 5-spirocyclopropane-annelated thiazoline-4-carboxylates [I; R¹ = H, Me, Et, PhCH₂OCH₂CH₂, R² = (un)substituted Ph, Me, NMe₂, NMePh, etc.] in 37-92% yields. I are cysteine derivatives that possess a cyclopropyl or substituted cyclopropyl group in place of the gem-dimethyl-substituted ¦Â-carbon atom of penicillamine; they can be hydrolyzed to the hydrochloride salt of the amino acid by heating in acid. Under acidic conditions (CH₂Cl₂, HCl), the Michael adducts of thioamides onto 2-chloro-2-cyclopropylideneacetates are formed in high to virtually quant. yields. When treated with NaHCO₃ in MeCN, the adducts cyclize to thiazolinecarboxylates (51-82%), but in the presence of Ti(OiPr)₄ they form spirocyclopropane-annelated thiazinones (19-88%).

European Journal of Organic Chemistry published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, SDS of cas: 6972-05-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Weis, Robert published the artcileSynthesis of new analogs of diphenylpyraline, Application In Synthesis of 6972-05-0, the publication is Tetrahedron (2003), 59(9), 1403-1411, database is CAplus.

1-Unsubstituted 4-dimethylamino-5,6-dihydropyridine-2(1H)-thiones were converted to isomeric piperidin-4-ols which were separated and N-methylated to 2-substituted 1-methylpiperidin-4-ols. Their 1-Ph analogs were prepared from 4-dimethylamino-5,6-dihydro-1-phenylpyridine-2(1H)-thiones. After their conversion to dihydro-1-phenylpyridin-4(1H)-ones the hydrogenation gave isomeric 1-phenylpiperidin-4-ols, which were separated O-Alkylation of the 1-substituted piperidin-4-ols by various methods yielded 2-substituted analogs of diphenylpyraline. Their antimycobacterial activity was examined The configurations and conformations of the piperidine derivatives were investigated by NMR spectroscopy.

Tetrahedron published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C18H35NO, Application In Synthesis of 6972-05-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Walter, Wolfgang published the artcileStructure of thioamides and their derivatives, XLII. N-(Trimethylsilyl)thioureas, HPLC of Formula: 6972-05-0, the publication is Liebigs Annalen der Chemie (1979), 263-77, database is CAplus.

N-silylation of mono- and disubstituted thioureas was carried out by treating them with Me₃SiCl/Et₃N. Monosilylated ureas could also be obtained from silylated amines and isothiocyanates. The trisubstituted thiourea Me₂NC(S)NHMe and monosilylated thioureas RNHC(S)NR¹SiMe₃ (R = Ph, R¹ = H, Ph; R = Me, R¹ = Ph) were silylated via metalation with BuLi and reaction with Me₃SiCl. Barriers to rotation about the C-N bond of the N-(trimethylsilyl)thioureas were determined

Liebigs Annalen der Chemie published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C17H37NO3, HPLC of Formula: 6972-05-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Von Ohe, Peter C. published the artcileStructural Alerts-A New Classification Model to Discriminate Excess Toxicity from Narcotic Effect Levels of Organic Compounds in the Acute Daphnid Assay, SDS of cas: 6972-05-0, the publication is Chemical Research in Toxicology (2005), 18(3), 536-555, database is CAplus and MEDLINE.

Quant. and qual. structure-activity relationships (QSARs) have a great potential to support the risk assessment of chems., provided there are tools available that allow evaluation of the suitability of QSARs for the compounds of interest. In this context, a pragmatic approach is to discriminate excess toxicity from narcotic effect levels, because the latter can be estimated from QSARs and thus have a low priority for exptl. testing. To develop a resp. scheme for the acute daphnid toxicity as one of the primary ecotoxicol. endpoints, 1067 acute toxicity data entries for 380 chems. involving the daphnid species Daphnia magna were taken from the online literature, and quality checks such as water solubility were employed to eliminate apparently odd data entries. For 36 known narcotics with LC₅₀ values referring to D. magna, a reference baseline QSAR is derived. Compounds with LC₅₀ values above a certain threshold defined relative to their predicted baseline toxicity are classified as exerting excess toxicity. Three simple discrimination schemes are presented that enable the identification of excess toxicity from structural alerts based on the presence or absence of certain heteroatoms and their chem. functionality. Moreover, a two-step classification approach is introduced that enables a prioritization of organic compounds with respect to their need for exptl. testing. The discussion includes reaction mechanisms that may explain the association of structural alerts with excess toxicity, a comparison with predictions derived from mode of action-based classification schemes, and a statistical anal. of the discrimination performance in terms of detailed contingency table statistics.

Chemical Research in Toxicology published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C4H10O2, SDS of cas: 6972-05-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Goehner, Martin published the artcile2,3-Dihydro-4,5-diisopropyl-1,3-dimethylimidazol-2-ylidene and its chalcogenones, Application In Synthesis of 6972-05-0, the publication is Zeitschrift fuer Naturforschung, B: A Journal of Chemical Sciences (2015), 70(2), 91-94, database is CAplus.

2,3-Dihydro-4,5-diisopropyl-1,3-dimethylimidazol-2-ylidene (I) is prepared by reduction of the corresponding thione II with potassium. The selenium compound III is obtained from I and selenium. In the solid state, II and III exist as their isomers, as revealed by their crystal structures.

Zeitschrift fuer Naturforschung, B: A Journal of Chemical Sciences published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Application In Synthesis of 6972-05-0.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia