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9H-Indeno[1,2-b]pyrazine-2,3-dicarbonitrile, 9-oxois a chemical compound with the molecular formula C16H6N4O, belonging to the class of organic compounds known as pyrazinecarboxylic acids and derivatives. It is a yellow solid with a molecular weight of 278.25 g/mol and a melting point of 352-353°C. 9H-Indeno[1,2-b]pyrazine-2,3-dicarbonitrile, 9-oxois sparingly soluble in water and is commonly used as a building block in the synthesis of various pharmaceuticals and agrochemicals. Its unique structure and properties also make it a potential candidate for applications in organic synthesis and materials science.

40114-84-9

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40114-84-9 Usage

Uses

Used in Pharmaceutical Industry:
9H-Indeno[1,2-b]pyrazine-2,3-dicarbonitrile, 9-oxois used as a building block for the synthesis of various pharmaceuticals due to its unique structure and properties. It contributes to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
9H-Indeno[1,2-b]pyrazine-2,3-dicarbonitrile, 9-oxois also used as a building block in the synthesis of agrochemicals, such as pesticides and herbicides. Its unique structure allows for the creation of new compounds with improved efficacy and selectivity in controlling pests and weeds.
Used in Organic Synthesis:
9H-Indeno[1,2-b]pyrazine-2,3-dicarbonitrile, 9-oxois utilized in organic synthesis as a versatile intermediate for the preparation of various organic compounds. Its unique structure and properties enable the synthesis of complex molecules with potential applications in various fields.
Used in Materials Science:
Due to its unique structure and properties, 9H-Indeno[1,2-b]pyrazine-2,3-dicarbonitrile, 9-oxohas potential applications in materials science. It can be used in the development of new materials with specific properties, such as conductivity, stability, or optical characteristics, for use in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 40114-84-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,1,1 and 4 respectively; the second part has 2 digits, 8 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 40114-84:
(7*4)+(6*0)+(5*1)+(4*1)+(3*4)+(2*8)+(1*4)=69
69 % 10 = 9
So 40114-84-9 is a valid CAS Registry Number.
InChI:InChI=1/C13H4N4O/c14-5-9-10(6-15)17-12-11(16-9)7-3-1-2-4-8(7)13(12)18/h1-4H

40114-84-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:40114-84-9 SDS

40114-84-9Relevant academic research and scientific papers

Green-synthesized, low-cost tetracyanodiazafluorene (TCAF) as electron injection material for organic light-emitting diodes

Yang, Bing,Zhao, Jianfeng,Wang, Zepeng,Yang, Zhenlin,Lin, Zongqiong,Zhang, Yanni,Li, Jiewei,Xie, Linghai,An, Zhongfu,Zhang, Hongmei,Weng, Jiena,Huang, Wei

, p. 1969 - 1973 (2019)

Two electron-deficient azaacenes including di- and tetra-cyanodiazafluorene (DCAF and TCAF) with the advantages of deep lowest unoccupied molecular orbital (LUMO), green-synthesis, low-cost, simply purification method, excellent yields have been obtained, characterized and used as electron injection materials (EIMs) in three groups of electroluminescence devices. Device B with TCAF as EIM exhibited the best performance including turn-on voltage of 5.0 V, stronger maximum luminance intensity of 31,549 cd/m2, higher luminance efficiency of 62.34 cd/A and larger power efficiency of 21.74 lm/W which are 0.53, 6.7, 9.3 and 15.3 times than that of device A with DCAF as EIMs, respectively. The enhanced interfacial electron injection ability of TCAF than that of DCAF is supported by its better electron mobility in electron-only device, deeper LUMO (-4.52 eV), and stronger electronic affinity. Best external quantum efficiency of 16.56% was achieved with optimized thicknesses of TCAF as EIM and TPBi as electron transporting layer. As a new comer of acceptor family, TCAF would push forward organic electronics with more fascinating and significant applications.

Synthesis, characterization of some pyrazine derivatives as anti-cancer agents: In vitro and in Silico approaches

Abd Alla, Mohamed M.,Amer, Atef M.,Mohamed, Enaiat K.,Nafie, Mohamed S.,Tantawy, Eman S.

, (2020)

In continuation of our interest on the synthesis of fused quinoxalines and pyrazines derivatives and due to the resultant pharmacological interest in compounds which belong to these heterocyclic derivatives. In this manuscript, we direct for preparation of some indenoquinoxaline and pyrazine derivatives, with spectral characterization using different spectral techniques including IR, NMR, together with elemental analyses. The newly synthesized derivatives were subjected to cytotoxic screening using the MTT assay against MCF-7 and A549 cell lines. Compounds 6, 8a, 9, 10, and 11 exhibited a potent cytotoxic activity, especially compound 11 with IC50 values 5.4 and 4.3 μM against MCF-7 and A549, respectively. Molecular docking calculations of the tested derivatives exhibited a good binding affinity towards EGFR receptor binding site, which might explain their proposed mode of action.

FLUORENONE/FLUORENOL DERIVATIVES FOR AQUEOUS REDOX FLOW BATTERIES

-

Paragraph 0157, (2021/05/21)

Aqueous electrolytes comprising fluorenone/fluorenol derivatives are disclosed. The electrolyte may be an anolyte for an aqueous redox flow battery. In some embodiments, the compound, or salt thereof, has a structure according to any one of formulas I-III where Q1-Q4 independently are CH, C(R1) or N, wherein 0, 1, or 2 of Q1-Q4 are N; Q5-Q8 independently are CH, C(R2), or N, wherein 0, 1, or 2 of Q5-Q8 are N; Y is C═O or C(H)OH; R1 and R2 independently are an electron withdrawing group; n is an integer >1; and x and y independently are 0, 1, 2, 3, or 4, where at least one of x and y is not 0.

Discovery of Nonquinone Substrates for NAD(P)H: Quinone Oxidoreductase 1 (NQO1) as Effective Intracellular ROS Generators for the Treatment of Drug-Resistant Non-Small-Cell Lung Cancer

Wu, Xingsen,Li, Xiang,Li, Zhihong,Yu, Yancheng,You, Qidong,Zhang, Xiaojin

, p. 11280 - 11297 (2019/01/04)

The elevation of oxidative stress preferentially in cancer cells by efficient NQO1 substrates, which promote ROS generation through redox cycling, has emerged as an effective strategy for cancer therapy, even for treating drug-resistant cancers. Here, we described the identification and structural optimization studies of the hit compound 1, a new chemotype of nonquinone substrate for NQO1 as an efficient ROS generator. Further structure-activity relationship studies resulted in the most active compound 20k, a tricyclic 2,3-dicyano indenopyrazinone, which selectively inhibited the proliferation of NQO1-overexpressing A549 and A549/Taxol cancer cells. Furthermore, 20k dramatically elevated the intracellular ROS levels through NQO1-catalyzed redox cycling and induced PARP-1-mediated cell apoptosis in A549/Taxol cells. In addition, 20k significantly suppressed the growth of A549/Taxol xenograft tumors in mice with no apparent toxicity observed in vivo. Together, 20k acts as an efficient NQO1 substrate and may be a new option for the treatment of NQO1-overexpresssing drug-resistant NSCLC.

Material for an organic electroluminescence device and an organic electroluminescence device

-

Page/Page column 57, (2012/03/10)

A material for an organic electroluminescence device represented by the following formula (I): wherein X1 is one of divalent groups represented by the following (a) to (e); Y1 to Y4 are independently a carbon atom or a nit

Novel cysteine protease inhibitors and their therapeutic applications

-

Page/Page column 18, (2008/06/13)

The present invention concerns new compounds of formula (I), their process of preparation and their therapeutic use.

Novel cysteine protease inhibitors and their therapeutic applications

-

Page/Page column 12, (2008/06/13)

The present invention concerns new compounds of formula (I), their process of preparation and their therapeutic use.

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