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265-13-4

265-13-4 | 1,5-Benzothiazepine

CAS No: 265-13-4 Catalog No: AG002THC MDL No:

Product Description

Catalog Number:
AG002THC
Chemical Name:
1,5-Benzothiazepine
CAS Number:
265-13-4
Molecular Formula:
C9H7NS
Molecular Weight:
161.2236
IUPAC Name:
1,5-benzothiazepine
InChI:
InChI=1S/C9H7NS/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-7H
InChI Key:
KJFRSZASZNLCDF-UHFFFAOYSA-N
SMILES:
C1=CSc2c(N=C1)cccc2

Properties

Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.03g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.222g/mol
Monoisotopic Mass:
161.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Literature

Title Journal
Synthesis of 1,5-benzothiazepine derivatives bearing 2-phenoxy-quinoline moiety via 1,3-diplolar cycloaddition reaction. Molecular diversity 20111101
Modulation of constitutive androstane receptor (CAR) and pregnane X receptor (PXR) by 6-arylpyrrolo[2,1-d][1,5]benzothiazepine derivatives, ligands of peripheral benzodiazepine receptor (PBR). Toxicology letters 20110425
Comparative Effects of α-, β-, and γ-Carbolines on Platelet Aggregation and Lipid Membranes. Journal of toxicology 20110101
Three-component synthesis of benzo[b][1,5]thiazepines via coupling-addition-cyclocondensation sequence. Molecular diversity 20100801
Synthesis of 1,5-benzothiazepine dipeptide mimetics via two CuI-catalyzed cross coupling reactions. Organic letters 20090702
Synthesis and biological evaluation of a novel series of 1,5-benzothiazepine derivatives as potential antimicrobial agents. European journal of medicinal chemistry 20090701
Pharmacological characteristics and clinical applications of K201. Current clinical pharmacology 20090501
Design, synthesis, and biological evaluation of 1,5-benzothiazepine-4-one derivatives targeting factor VIIa/tissue factor. Bioorganic & medicinal chemistry letters 20090301
1,5-Benzothiazepine, a versatile pharmacophore: a review. European journal of medicinal chemistry 20081101
Solid-phase synthesis and biological evaluation of a parallel library of 2,3-dihydro-1,5-benzothiazepines. Bioorganic & medicinal chemistry 20080815
Mitochondrial Ca2+ homeostasis in human NADH:ubiquinone oxidoreductase deficiency. Cell calcium 20080701
Molecular modeling of benzothiazepine binding in the L-type calcium channel. The Journal of biological chemistry 20080620
Regio- and stereocontrolled synthesis of novel 3-sulfonamido-2,3,4,5-tetrahydro-1,5-benzothiazepines from 2-(bromomethyl)- or 2-(sulfonyloxymethyl)aziridines. Organic & biomolecular chemistry 20080607
Synthesis and structure characterization of new 1,2,4-oxadiazolo[4,5-d]-1,5-benzothiazepines derivatives containing 2-phenyl-1,2,3-triazole through 1,3-dipolar cycloaddition reaction. Molecular diversity 20080501
Structural insight into the inhibition of acetylcholinesterase by 2,3,4, 5-tetrahydro-1, 5-benzothiazepines. Journal of enzyme inhibition and medicinal chemistry 20080401
The expedient synthesis of 1,5-benzothiazepines as a family of cytotoxic drugs. Bioorganic & medicinal chemistry letters 20080101
Syntheses and biological activities of chalcone and 1,5-benzothiazepine derivatives: promising new free-radical scavengers, and esterase, urease, and alpha-glucosidase inhibitors. Chemistry & biodiversity 20050401
A combinatorial approach to [1,5]benzothiazepine derivates as potential antibacterial agents. Journal of combinatorial chemistry 20010101

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