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3-(DIMETHYLAMINOMETHYL)-6-NITROINDOLE, a nitroindole derivative with the molecular formula C12H13N3O2, is a chemical compound that features a nitro group and an indole ring in its structure. It has been utilized in biological research for studying the metabolism of its analogs and serves as a precursor in the synthesis of various organic compounds. 3-(DIMETHYLAMINOMETHYL)-6-NITROINDOLE also shows potential pharmacological properties, including antimicrobial and anticancer activities, and is being explored for its use in the development of new drugs and pharmaceuticals.

6954-87-6

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6954-87-6 Usage

Uses

Used in Biological Research:
3-(DIMETHYLAMINOMETHYL)-6-NITROINDOLE is used as a substrate for studying the metabolism of its analogs, providing insights into the biological processes and mechanisms related to these compounds.
Used in Organic Synthesis:
3-(DIMETHYLAMINOMETHYL)-6-NITROINDOLE is used as a precursor in the synthesis of various organic compounds, contributing to the development of new chemical entities with potential applications in different fields.
Used in Pharmaceutical Development:
3-(DIMETHYLAMINOMETHYL)-6-NITROINDOLE is used as a potential candidate for the development of new drugs and pharmaceuticals, due to its demonstrated antimicrobial and anticancer activities, which could lead to the creation of novel therapeutic agents.
Used in Antimicrobial Applications:
In the field of antimicrobial research, 3-(DIMETHYLAMINOMETHYL)-6-NITROINDOLE is used as an active compound for its potential to combat various microorganisms, contributing to the discovery of new antimicrobial agents.
Used in Anticancer Applications:
3-(DIMETHYLAMINOMETHYL)-6-NITROINDOLE is used as a potential anticancer agent, with studies suggesting its ability to target and inhibit the growth of cancer cells, offering a new avenue for cancer treatment and therapy development.

Check Digit Verification of cas no

The CAS Registry Mumber 6954-87-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,9,5 and 4 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 6954-87:
(6*6)+(5*9)+(4*5)+(3*4)+(2*8)+(1*7)=136
136 % 10 = 6
So 6954-87-6 is a valid CAS Registry Number.
InChI:InChI=1/C11H13N3O2/c1-13(2)7-8-6-12-11-5-9(14(15)16)3-4-10(8)11/h3-6,12H,7H2,1-2H3

6954-87-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name N,N-dimethyl-1-(6-nitro-1H-indol-3-yl)methanamine

1.2 Other means of identification

Product number -
Other names 6-Nitrogramine

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:6954-87-6 SDS

6954-87-6Relevant academic research and scientific papers

HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS

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Paragraph 0196, (2021/01/23)

Heterocyclic compounds as CDK4 or CDK6 or other CDK inhibitors are provided. The compounds may find use as therapeutic agents for the treatment of diseases and may find particular use in oncology.

Discovery of IDO1 and DNA dual targeting antitumor agents

Fang, Kun,Wu, Shanchao,Dong, Guoqiang,Wu, Ying,Chen, Shuqiang,Liu, Jianhe,Wang, Wei,Sheng, Chunquan

supporting information, p. 9992 - 9995 (2017/12/26)

The development of small molecules for cancer immunotherapy is highly challenging and indoleamine 2,3-dioxygenase 1 (IDO1) represents a promising target. Inspired by the synergistic effects between IDO1 inhibitors and traditional antitumor chemotherapeutics, the first orally active dual IDO1 and DNA targeting agents were designed by the pharmacophore fusion strategy. The bifunctional hybrids exhibited enhanced IDO1 enzyme inhibitory activity and in vitro cytotoxicity as compared to IDO1 inhibitor 1-methyl-tryptophan and DNA alkylating agent melphalan. In a murine LLC tumor model, the dual targeting agents demonstrated excellent antitumor efficacy, highlighting the advantages of this novel design strategy to improve the efficacy of small molecule cancer immunotherapy.

Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases

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Paragraph 0421, (2015/09/22)

The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

A convenient metal-free reagent for the generation and capture of trifluoromethanethiol

Li, Shi-Guang,Zard, Samir Z.

supporting information, p. 5898 - 5901 (2013/12/04)

O-Octadecyl-S-trifluorothiolcarbonate is a cheap and storable crystalline source of trifluoromethanethiol that can be prepared in two steps on a multigram scale from trifluoroacetic anhydride and sodium O-octadecyl-dithiocarbonate (xanthate). It reacts directly with gramines or with α-bromoketones and -esters in the presence of KF and pyrrolidine to give the corresponding trifluoromethyl sulfides in generally high yield.

MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS

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, (2012/12/14)

The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, compositions thereof, and methods therewith. The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES

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, (2012/04/23)

The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

Synthesis and NMR characteristics of N-acetyl-4-nitro, N-acetyl-5-nitro, N-acetyl-6-nitro and N-acetyl-7-nitrotryptophan methyl esters

King, Russell R.,Calhoun, Larry A.

body text, p. 273 - 276 (2009/12/28)

N-acetyl-4-nitrotryptophan methyl ester (2), N-acetyl-5-nitrotryptophan methyl ester (3), N-acetyl-6-nitrotryptophan methyl ester (4) and N-acetyl-7-nitrotryptophan methyl ester (5) were synthesized through a modified malonic ester reaction of the appropriate nitrogramine analogs followed by methylation with BF3-methanol. Assignments of the 1H and 13C NMR chemical shifts were made using a combination of 1H-1H COSY, 1H-13C HETCOR and 1H-13C selective INEPT experiments. Copyright

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