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6,11-dihydrodibenzo[b,e]thiepine-11-carbonitrile is a complex organic chemical compound with the molecular formula C12H9NS. It is a derivative of dibenzo[b,e]thiepine, featuring a carbonitrile group (-CN) at the 11-position and a partially saturated six-membered ring. 6,11-dihydrodibenzo[b,e]thiepine-11-carbonitrile is characterized by its unique structure, which includes a benzene ring fused to a thiophene ring, and a dihydro (partially hydrogenated) six-membered ring. It is an important intermediate in the synthesis of various pharmaceuticals and agrochemicals due to its potential to form diverse chemical structures through further functionalization. The compound's properties, such as its reactivity and stability, make it a valuable building block in organic synthesis, particularly in the development of compounds with potential therapeutic or pesticidal activity.

1745-54-6

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1745-54-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1745-54-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,7,4 and 5 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 1745-54:
(6*1)+(5*7)+(4*4)+(3*5)+(2*5)+(1*4)=86
86 % 10 = 6
So 1745-54-6 is a valid CAS Registry Number.

1745-54-6Relevant academic research and scientific papers

New Triazine Derivatives as Potent Modulators of Multidrug Resistance

Dhainaut, Alain,Regnier, Gilbert,Atassi, Ghanem,Pierre, Alain,Leonce, Stephane,et al.

, p. 2481 - 2496 (2007/10/02)

A series of 70 triazine derivatives have been synthesized and tested for their capacity to modulate multidrug resistance (MDR) in DC-3F/AD and KB-A1 tumor cells in vitro, in comparison with verapamil (VRP), a calcium channel antagonist currently used in therapy as an antihypertensive drug, which also shows MDR modulating activity.Among the 12 selected compounds, 16 (S9788) showed high MDR reversing properties in vitro (300- and 6-fold VRP at 5μM in DC-3F/AD and KB-A1 cells, respectively) and induced a strong accumulation of adriamycin.The relationship between the increase of ADR accumulation and the fold reversal induced by these compounds and their lack of effects on the sensitive DC-3F cells suggest that they act mainly by inhibiting the P-glycoprotein (Pgp) catalyzed efflux of cytotoxic agents, as already described for a majority of MDR modulators.In vivo, in association with the antitumor drug vincristine (0.25 mg/kg), 16 (100 mg/kg) increased the T/C by 39percent in mice bearing the resistant tumor cell line P388/VCR.According to these interesting properties, 16 was selected for a clinical development because it is more bioavailable than 34, even though it was less active.

REACTION OF 6,11-DIHYDRODIBENZOTHIEPIN-11-CARBONITRILE WITH 1,2-DIBROMOETHANE, A REINVESTIGATION. FORMATION OF 11,12-DIHYDRO-6H-6,12-METHANODIBENZOTHIOCIN-12-CARBONITRILE

Sindelar, Karel,Budesinsky, Milos,Vanek, Tomas,Holubek, Jiri,Svatek, Emil,at.al.

, p. 2281 - 2294 (2007/10/02)

Reinvestigation of the minor product of reaction of 6,11-dihydrodibenzothiepin-11-carbonitrile (I) with 1,2-dibromoethane in the presence of tetrabutylammonium bromide or benzyltriethylammonium chloride and 50percent sodium hydroxide by means of 1H and 13C NMR spectroscopy led to the formula XI named in the title, which was confirmed by X-ray crystallographic analysis.The product of a similar reaction, carried out in dimethyl sulfoxide in the presence of potassium carbonate at 100 deg C was identified as the stereoisomeric mixture of 11,11'-ethylenebis(6,11-dihydrodibenzothiepin-11-carbonitriles) (XII) which was separed to the components by preparative HPLC.The title compound XI was oxidized to the sulfoxide XIII and the sulfone XIV, and was transformed by reduction and the following methylation to amines XV and XVI.The reduction of the vinyl nitrile III with lithium aluminium hydride is complicated on the one hand by allylic rearrangement, and with cyanide anion abstraction on the other, the products being (E,Z)-mixture of 3-(6,11-dihydrodibenzothiepin-11-ylidene)propylamines (XVII) and 11-vinyl-6,11-dihydrodibenzothiepin (X).The amine XVI is devoid of thymoleptic activity.

Dihydro-dibenzoxepines-thiepines and -morphanthridones, compositions and use

-

, (2008/06/13)

The invention relates to diuretic dihydro-dibenzoxepines-thiepines and -morphanthridones of the formula STR1 wherein R is STR2 where R4 is a hydrogen or an alkyl; R1 is hydrogen or alkyl; R2 and R3 are the same or different and are hydrogen, alkyl or R2 and R3 are fused to form a pyrrolidino, morpholino, piperidino or azepino ring substituent; Y is hydrogen, halogen and alkoxy, X is STR3 where R4 is as defined above; m is an integer of 0 or 1; and n is an integer of 2 or 3; and the pharmaceutically acceptable acid addition salts thereof.

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