3950-02-5

Basic information

• Product Name: Benzoyl chloride, 2-(chlorothio)- (9CI)
• Synonyms: Benzoyl chloride, 2-(chlorothio)- (9CI)
• CAS NO: 3950-02-5
• Molecular Formula: C₇H₄Cl₂OS
• Molecular Weight: 207.07706
• Product Categories: ACIDHALIDE
• Mol File: 3950-02-5.mol
• Article Data: 19

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzoyl chloride, 2-(chlorothio)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoyl chloride, 2-(chlorothio)- (9CI)(3950-02-5)
• EPA Substance Registry System: Benzoyl chloride, 2-(chlorothio)- (9CI)(3950-02-5)

Safety Data

• Hazardous Substances Data: 3950-02-5(Hazardous Substances Data)

Upstream product

• 119-80-2 2,2'-dithiobenzoic acid 
• 118-92-3 anthranilic acid 
• 98-07-7 Benzotrichlorid 
• 707-74-4 (trichloromethyl)mesitylene 
• 147-93-3 Thiosalicylic acid 
• 22219-02-9 2,2'-thiodibenzoic acid 
• 19602-82-5 2,2'-dithiodibenzoic acid dichloride 

Downstream Products

• 76098-40-3 C₁₃H₁₄Cl₂N₂OS 
• 4299-09-6 2-(2-hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 
• 82152-06-5 2-(3-Oxo-3h-benzo[d]isothiazol-2-yl)-acetic acid 
• 89139-48-0 3-(3-oxobenzo[d]isothiazol-2(3H)-yl)propanoic acid 
• 492-22-8 thio-xanthene-9-one 
• 83846-86-0 4-isopropylthioxanthone 
• 5495-84-1 2-isopropyl-9H-thioxanthen-9-one 
• 93371-99-4 acido 4-(3-oxo-1,2-benzisotiazolin-2-il)fenilacetico 
• 90234-71-2 N-<2-(Chlorthio)benzoyl>-1-indolincarboximidoylchlorid 
• 69577-09-9 2-(2-piperidin-1-yl-ethyl)-benzo[d]isothiazol-3-one 
• 69577-10-2 2-(2-pyrrolidin-1-yl-ethyl)-benzo[d]isothiazol-3-one 
• 30757-70-1 3-oxo-1,2-benzisotiazolin-2-ilcarbossilato etilico 
• 30757-72-3 4-(2-morpholin-4-ylsulfanyl-benzoyl)-morpholine 
• 30757-71-2 4-[2-(N-benzenesulfonyl-morpholine-4-sulfinimidoyl)-benzoyl]-morpholine 

Relevant articles and documents

Facile synthesis and in vitro activity of n-substituted 1,2-benzisothiazol-3(2H)-ones against dengue virus NS2BNS3 protease

Several new N-substituted 1,2-benzisothiazol-3(2H)-ones (BITs) were synthesised through a facile synthetic route for testing their anti-dengue protease inhibition. Contrary to the conventional multistep synthesis, we achieved structurally diverse BITs with excellent yields using a two-step, one-pot reaction strategy. All the synthesised compounds were prescreened for drug-like properties using the online Swiss Absorption, Distribution, Metabolism and Elimination (SwissADME) model, indicating their favourable pharmaceutical properties. Thus, the synthesised BITs were tested for inhibitory activity against the recombinant dengue virus serotype-2 (DENV-2) NS2BNS3 protease. Dose–response experiments and computational docking analyses revealed that several BITs bind to the protease in the vicinity of the catalytic triad with IC50 values in the micromolar range. The DENV2 infection assay showed that two BITs, 2-(2-chlorophenyl)benzo[d]isothiazol-3(2H)-one and 2-(2,6-dichlorophenyl)benzo[d]isothiazol-3(2H)-one, could suppress DENV replication and virus infectivity. These results indicate the potential of BITs for developing new anti-dengue therapeutics.

Benzisothiazolinone Derivatives as Potent Allosteric Monoacylglycerol Lipase Inhibitors That Functionally Mimic Sulfenylation of Regulatory Cysteines

We describe a set of benzisothiazolinone (BTZ) derivatives that are potent inhibitors of monoacylglycerol lipase (MGL), the primary degrading enzyme for the endocannabinoid 2-arachidonoyl-sn-glycerol (2-AG). Structure-activity relationship studies evaluated various substitutions on the nitrogen atom and the benzene ring of the BTZ nucleus. Optimized derivatives with nanomolar potency allowed us to investigate the mechanism of MGL inhibition. Site-directed mutagenesis and mass spectrometry experiments showed that BTZs interact in a covalent reversible manner with regulatory cysteines, Cys201 and Cys208, causing a reversible sulfenylation known to modulate MGL activity. Metadynamics simulations revealed that BTZ adducts favor a closed conformation of MGL that occludes substrate recruitment. The BTZ derivative 13 protected neuronal cells from oxidative stimuli and increased 2-AG levels in the mouse brain. The results identify Cys201 and Cys208 as key regulators of MGL function and point to the BTZ scaffold as a useful starting point for the discovery of allosteric MGL inhibitors.

DIPHOSPHONATE COMPOUND AND A METHOD FOR PREPARING THE SAME AND AN APPLICATION OF THE SAME

The present disclosure relates to a new diphosphonate compound, and the method to prepare the above new diphosphonate compound. The new diphosphonate compound exhibits an activity in inhibiting osteoclast equivalent to alendronate sodium, and a higher activity in affecting the proliferation of osteoplast than the positive control compounds, but the positive control exhibits a weaker effect on osteoblast proliferation. In experimental examples, an administration schedule for the diphosphonate compound is provided.