Tag: M.W=150-200

Gehling, Victor S. published the artcileDiscovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors, Formula: C7H8BClO2, the publication is ACS Medicinal Chemistry Letters (2013), 4(9), 835-840, database is CAplus and MEDLINE.

The identification of a novel series of small mol. BET inhibitors is described. Using crystallog. binding modes of an amino-isoxazole fragment and known BET inhibitors, a structure-based drug design effort lead to a novel isoxazole azepine scaffold, e.g. I. This scaffold showed good potency in biochem. and cellular assays and oral activity in an in vivo model of BET inhibition.

ACS Medicinal Chemistry Letters published new progress about 209919-30-2. 209919-30-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is 4-Chloro-2-methylphenylboronic acid, and the molecular formula is C7H8BClO2, Formula: C7H8BClO2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Brode, Wallace R. published the artcileRearrangement of the isomeric 1,2-(dimethylamino)-chloropropanes. The synthesis of amidone, Related Products of chlorides-buliding-blocks, the publication is Journal of the American Chemical Society (1947), 724, database is CAplus and MEDLINE.

Chlorination of MeCH(OH)CH₂NMe₂ (I) (b. 124-4.5°) and MeCH(NMe₂)CH₂OH (II) (b. 145-5.5°) with SOCl₂ in anhydrous CHCl₃ yields MeCHClCH₂NMe₂.HCl (III) and MeCH(NMe₂)CH₂Cl.HCl (IV), resp.; IV is much more soluble in CHCl₃ than III. IV and III and a mixture of the 2 all m. 191-1.5°, indicating rearrangement to the same compound on heating. The free base from III or IV b₁₁₀ 60-3°; with Ag₂O it gives 12% II.

Journal of the American Chemical Society published new progress about 4584-49-0. 4584-49-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Salt,Amine,Aliphatic hydrocarbon chain, name is 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride, and the molecular formula is C5H13Cl2N, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Andrews, Simeon S. published the artcileLabel Transfer Reagents to Probe p38 MAPK Binding Partners, Recommanded Product: 2-Chloroisonicotinic acid, the publication is ChemBioChem (2013), 14(2), 209-216, database is CAplus and MEDLINE.

Protein kinases are essential enzymes for cellular signaling, and are often regulated by participation in protein complexes. The mitogen-activated protein kinase (MAPK) p38 is involved in multiple pathways, and its regulation depends on its interactions with other signaling proteins. However, the identification of p38-interacting proteins is challenging. For this reason, we have developed label transfer reagents (LTRs) that allow labeling of p38 signaling complexes. These LTRs leverage the potency and selectivity of known p38 inhibitors to place a photo-crosslinker and tag in the vicinity of p38 and its binding partners. Upon UV irradiation, proteins that are in close proximity to p38 are covalently crosslinked, and labeled proteins are detected and/or purified with an orthogonal chem. handle. Here we demonstrate that p38-selective LTRs selectively label a diversity of p38 binding partners, including substrates, activators, and inactivators. Furthermore, these LTRs can be used in immunoprecipitations to provide low-resolution structural information on p38-containing complexes.

ChemBioChem published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Recommanded Product: 2-Chloroisonicotinic acid.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Chen, Zhi-Min published the artcilePalladium-Catalyzed Enantioselective Redox-Relay Heck Arylation of 1,1-Disubstituted Homoallylic Alcohols, Name: 4-Chloro-2-methylphenylboronic acid, the publication is Journal of the American Chemical Society (2016), 138(36), 11461-11464, database is CAplus and MEDLINE.

An enantioselective redox-relay oxidative Heck arylation of 1,1-disubstituted alkenes to construct β-stereocenters was developed using a new pyridyl-oxazoline ligand. Various 1,2-diaryl carbonyl compounds were readily obtained in moderate yield and good to excellent enantioselectivity. Addnl., anal. of the reaction outcomes using multidimensional correlations revealed that enantioselectivity is tied to specific electronic features of the 1,1-disubstituted alkenol and the extent of polarizability of the ligand.

Journal of the American Chemical Society published new progress about 209919-30-2. 209919-30-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is 4-Chloro-2-methylphenylboronic acid, and the molecular formula is C7H8BClO2, Name: 4-Chloro-2-methylphenylboronic acid.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Hshieh, Fu-Yu published the artcilePredicted heats of combustion of some important organosilicon intermediates, Application of Dichloro(hexyl)(methyl)silane, the publication is Fire and Materials (2003), 27(1), 41-49, database is CAplus.

The predicted heats of combustion of 308 organosilicon intermediates are presented. The net and gross heats of combustion were predicted by using two previously developed empirical equations. These intermediates cover most of the important organosilicon compounds that are manufactured or used in the silicone industry.

Fire and Materials published new progress about 14799-94-1. 14799-94-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Dichloro(hexyl)(methyl)silane, and the molecular formula is C7H16Cl2Si, Application of Dichloro(hexyl)(methyl)silane.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Dobinson, Martyn published the artcileIntroduction of stilbene derivatives and cinnamate ester derivatives at the ω-end groups of poly(methyl methacrylate) prepared via RAFT polymerization, Safety of 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is Polymers (Basel, Switzerland) (2020), 12(11), 2449, database is CAplus and MEDLINE.

The capping of “living” poly(Me methacrylate) (PMMA) and “living” polystyrene (PS), both prepared by the RAFT technique, with various olefins was screened using ¹⁹F-NMR spectroscopy. The capping of “living” PMMA with a labeled stilbene was as high as 63% and with certain cinnamate esters was essentially quant., but the capping of “living” polystyrene with all the olefins investigated was generally poor.

Polymers (Basel, Switzerland) published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Safety of 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Davis, Rohan A. published the artcileNatural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases, SDS of cas: 33697-81-3, the publication is Journal of Medicinal Chemistry (2011), 54(6), 1682-1692, database is CAplus and MEDLINE.

In order to discover novel probes that may help in the investigation and control of infectious diseases through a new mechanism of action, we have evaluated a library of phenol-based natural products (NPs) for enzyme inhibition against four recently characterized pathogen β-family carbonic anhydrases (CAs). These include CAs from Mycobacterium tuberculosis, Candida albicans, and Cryptococcus neoformans as well as α-family human CA I and CA II for comparison. Many of the NPs selectively inhibited the mycobacterial and fungal β-CAs, with the two best performing compounds displaying submicromolar inhibition with a preference for fungal over human CA inhibition of more than 2 orders of magnitude. These compounds provide the first example of non-sulfonamide inhibitors that display β over α CA enzyme selectivity. Structural characterization of the library compounds in complex with human CA II revealed a novel binding mode whereby a Me ester interacts via a water mol. with the active site zinc.

Journal of Medicinal Chemistry published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, SDS of cas: 33697-81-3.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Hemstroem, P. published the artcileIdentification and toxicological evaluation of cyclic sulfonium ion degradation products of sulphur mustard, Recommanded Product: 1,2-Bis(2-chloroethyl)disulfane, the publication is Marine Environmental Research (2020), 105047, database is CAplus and MEDLINE.

In the aftermath of WWII large amount seized German chem. munitions were dumped in the Baltic Sea by Allied forces. In this work, we have compared the chem. content of the solidified blocks of dumped WWII mustard gas collected from the Baltic Sea with solid precipitate from stored mustard gas, known as heel. We have identified the same cyclic sulfonium ions in both samples. In assessing the environmental and toxicol. impact of dumped sulfur mustard munitions on the worlds oceans the potential risk posed by cyclic sulfur mustard salts have so far not been incorporated. The toxicity of 1-(2-chloroethyl)-1,4-dithiane and its hydrolysis product 1-(2-hydroxyethyl)- 1,4-dithiane was evaluated using three different cell lines. Their effect on released pro-inflammatory cytokines was also measured. The toxicity tests showed low toxicity and low pro-inflammatory response and we therefore conclude that the environmental threat posed by these compounds is low.

Marine Environmental Research published new progress about 1002-41-1. 1002-41-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 1,2-Bis(2-chloroethyl)disulfane, and the molecular formula is C4H8Cl2S2, Recommanded Product: 1,2-Bis(2-chloroethyl)disulfane.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Xu, Shiyan published the artcileReagent Control Enables Selective and Regiodivergent Opening of Unsymmetrical Phenonium Ions, Synthetic Route of 620-20-2, the publication is Journal of the American Chemical Society (2020), 142(18), 8090-8096, database is CAplus and MEDLINE.

The first examples of selective and regiodivergent chlorination of unsym. benzyl-substituted epoxides, I [R = 4-methoxyphenyl, Ph, 2H-1,3-benzodioxol-5-yl, 1-[(4-methylbenzene)sulfonyl]-2,3-dihydro-1H-indol-5-yl, etc.; R¹ = Pr, 4-methoxyphenyl, 4-cyanobutyl, 4-(benzyloxy)butyl, etc.] have been reported. These reactions are enabled by the dual role of SnCl₄ and TiCl₄ as Lewis acids and chloride nucleophiles. Reagent control dictates addition of chloride at either the substituted internal position (SnCl₄) or unsubstituted terminal position (TiCl₄) of the phenonium ion. These reactions are highly selective, stereospecific, and operationally simple, and proceed in good to excellent yields. Diverse product utility is demonstrated.

Journal of the American Chemical Society published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H5Br2F, Synthetic Route of 620-20-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Jansen, Koen published the artcileExtended Structure-Activity Relationship and Pharmacokinetic Investigation of (4-Quinolinoyl)glycyl-2-cyanopyrrolidine Inhibitors of Fibroblast Activation Protein (FAP), Recommanded Product: 2-Chloroisonicotinic acid, the publication is Journal of Medicinal Chemistry (2014), 57(7), 3053-3074, database is CAplus and MEDLINE.

Fibroblast activation protein (FAP) is a serine protease related to dipeptidyl peptidase IV (DPPIV). It has been convincingly linked to multiple disease states involving remodeling of the extracellular matrix. FAP inhibition is investigated as a therapeutic option for several of these diseases, with most attention so far devoted to oncol. applications. The authors previously discovered the N-4-quinolinoyl-Gly-(2S)-cyanoPro scaffold as a possible entry to highly potent and selective FAP inhibitors. In the present study, the authors explore in detail the structure-activity relationship around this core scaffold. The authors report extensively optimized compounds that display low nanomolar inhibitory potency and high selectivity against the related dipeptidyl peptidases (DPPs) DPPIV, DPP9, DPPII, and prolyl oligopeptidase (PREP). The log D values, plasma stabilities, and microsomal stabilities of selected compounds were found to be highly satisfactory. Pharmacokinetic evaluation in mice of selected inhibitors demonstrated high oral bioavailability, plasma half-life, and the potential to selectively and completely inhibit FAP in vivo.

Journal of Medicinal Chemistry published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Recommanded Product: 2-Chloroisonicotinic acid.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics