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Tert-butyl 6-nitro-1H-indole-1-carboxylate is a chemical compound with the molecular formula C15H17NO4. It is a yellow, crystalline solid that belongs to the class of indole derivatives, known for their wide range of biological activities. tert-butyl 6-nitro-1H-indole-1-carboxylate is commonly used in organic synthesis and medicinal chemistry due to its versatile reactivity and ability to introduce specific functional groups. It is also studied for its potential application as an antitumor agent, making it a key intermediate in the preparation of various biologically active compounds.

219552-64-4

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219552-64-4 Usage

Uses

Used in Organic Synthesis:
Tert-butyl 6-nitro-1H-indole-1-carboxylate is used as a building block in organic synthesis for its versatile reactivity and ability to introduce specific functional groups, contributing to the development of new chemical compounds.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, tert-butyl 6-nitro-1H-indole-1-carboxylate is utilized as a key intermediate in the preparation of pharmaceuticals and agrochemicals, owing to its potential to enhance the biological activity of these compounds.
Used in Antitumor Research:
Tert-butyl 6-nitro-1H-indole-1-carboxylate is studied for its potential application as an antitumor agent, indicating its use in the development of cancer treatments and therapeutics.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, tert-butyl 6-nitro-1H-indole-1-carboxylate is used as a crucial component in the synthesis of biologically active compounds, which can lead to the creation of new drugs with potential therapeutic benefits.
Used in Agrochemical Industry:
Similarly, in the agrochemical industry, tert-butyl 6-nitro-1H-indole-1-carboxylate is employed for its role in synthesizing compounds with pesticidal or herbicidal properties, contributing to the development of effective crop protection agents.

Check Digit Verification of cas no

The CAS Registry Mumber 219552-64-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,9,5,5 and 2 respectively; the second part has 2 digits, 6 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 219552-64:
(8*2)+(7*1)+(6*9)+(5*5)+(4*5)+(3*2)+(2*6)+(1*4)=144
144 % 10 = 4
So 219552-64-4 is a valid CAS Registry Number.

219552-64-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 6-nitroindole-1-carboxylate

1.2 Other means of identification

Product number -
Other names WT752

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:219552-64-4 SDS

219552-64-4Relevant academic research and scientific papers

LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS

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Paragraph 0733; 0741, (2017/04/28)

The present application describes lactam-containing compounds and derivatives thereof of Formula I: P4—P-M-M4??I or pharmaceutically acceptable salt forms thereof, wherein ring P, if present is a 5-7 membered carbocycle or heterocycle and ring M is a 5-7 membered carbocycle or heterocycle. Compounds of the present invention are useful as inhibitors of trypsin-like serine proteases, specifically factor Xa.

Design, structure-activity relationship, and pharmacokinetic profile of pyrazole-based indoline factor Xa inhibitors

Varnes, Jeffrey G.,Wacker, Dean A.,Jacobson, Irina C.,Quan, Mimi L.,Ellis, Christopher D.,Rossi, Karen A.,He, Ming Y.,Luettgen, Joseph M.,Knabb, Robert M.,Bai, Steven,He, Kan,Lam, Patrick Y.S.,Wexler, Ruth R.

, p. 6481 - 6488 (2008/03/18)

A new series of pyrazole-based factor Xa inhibitors have been identified as part of our ongoing efforts to optimize previously reported clinical candidate razaxaban. Concern over the possible formation of primary aniline metabolites via amide hydrolysis led to the replacement of the primary amide linker between the pyrazole and phenyl moieties with secondary amides. This was accomplished by replacing the aniline with a variety of heterobicycles, of which indolines were the most potent. The indoline series demonstrated subnanomolar factor Xa binding Kis, modest to high selectivity versus other serine proteases, and good in vitro clotting activity. A small number of indoline fXa inhibitors were profiled in a dog pharmacokinetic model, one of which demonstrated pharmacokinetic parameters similar to that of clinical candidate razaxaban.

Substituted benzazoles and methods of their use as inhibitors of Raf kinase

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Page 241, (2008/06/13)

New substituted benz-azole compounds, compositions and methods of inhibition of Raf kinase activity in a human or animal subject are provided. The new compounds compositions may be used either alone or in combination with at least one additional agent for the treatment of a Raf kinase mediated disorder, such as cancer.

Antithrombotic agents

-

, (2008/06/13)

This application relates to a compound of formula (I), a pharmaceutically acceptable salt of the compound, or a prodrug thereof, as defined herein, pharmaceutical compositions thereof, and its use as an inhibitor of factor Xa, as well as a process for its preparation and intermediates therefor.

Synthesis and reactions of N-protected 3-nitroindoles

Pelkey,Gribble

, p. 1117 - 1122 (2007/10/03)

Treatment of N-protected indoles 3 with acetyl nitrate generated in situ at low temperatures affords the corresponding 3-nitroindoles 2 in good to excellent yields. Deprotection of 1-acetyl-3-nitroindole (2h) with DBU gives 3-nitroindole (1). Reaction of

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