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3-(3-METHYL-1H-INDOL-1-YL)PROPANENITRILE is a chemical compound with a molecular formula C13H12N2. It is a substituted indole compound with a nitrile functional group, which makes it a useful precursor and intermediate in the synthesis of various pharmaceuticals and organic compounds. The presence of a methyl group at the 3-position of the indole ring adds to its unique properties, and it is often used as a building block in organic chemistry for the creation of complex molecules. 3-(3-METHYL-1H-INDOL-1-YL)PROPANENITRILE has potential applications in medicinal chemistry and drug development due to its indole core, which is found in many biologically active molecules.

4414-81-7

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4414-81-7 Usage

Uses

Used in Pharmaceutical Industry:
3-(3-METHYL-1H-INDOL-1-YL)PROPANENITRILE is used as a precursor and intermediate for the synthesis of various pharmaceuticals and organic compounds. Its unique properties and indole core make it a promising candidate for the development of new drugs and therapeutic agents.
Used in Organic Chemistry:
3-(3-METHYL-1H-INDOL-1-YL)PROPANENITRILE is used as a building block in organic chemistry for the creation of complex molecules. Its nitrile functional group and methyl substitution at the 3-position of the indole ring provide versatility in the synthesis of a wide range of organic compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 4414-81-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,4,1 and 4 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 4414-81:
(6*4)+(5*4)+(4*1)+(3*4)+(2*8)+(1*1)=77
77 % 10 = 7
So 4414-81-7 is a valid CAS Registry Number.
InChI:InChI=1/C12H12N2/c1-10-9-14(8-4-7-13)12-6-3-2-5-11(10)12/h2-3,5-6,9H,4,8H2,1H3

4414-81-7SDS

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 3-(3-methylindol-1-yl)propanenitrile

1.2 Other means of identification

Product number -
Other names 1-(2-cyanoethyl)-3-methylindole

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:4414-81-7 SDS

4414-81-7Relevant academic research and scientific papers

INHIBITORS FOR THE Β-CATENIN / T-CELL FACTOR PROTEIN–PROTEIN INTERACTION

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Page/Page column 31; 35, (2019/10/23)

Disclosed are inhibitors for the β-catenin/T-cell factor interaction. The inhibitors are selective for β-catenin/T-cell factor over β-catenin/cadherin and β-catenin/APC interactions. Methods of using the disclosed compounds to treat cancer are also disclosed.

Acylation, cyanoethylation and alkylation of methyl and phenyl indolylmagnesium salts: Influence of the substituents on the C- and N- reaction products

Rodriguez, J. Gonzalo,Urrutia, Anahi

, p. 129 - 135 (2007/10/03)

Analysis of the influence of the substitution on indolylmagnesium salts in the reaction with benzoyl chloride, acrylonitrile and methyl iodide, giving the C- and N-derivatives, have been carried out. The yield in the C- and N-product depends upon the electronic character and position of the substituent (methyl or phenyl) on the indole ring and of the ethereal solvent as well as the concentration and molar ratio of the reagents. The 2- or 3- phenyl substituted indolylmagnesium salts with acrylonitrile always gave the 1-(2-cyanoethyl)indole derivative.

Highly potent inhibitors of the Grb2-SH2 domain

Schoepfer, Joseph,Fretz, Heinz,Gay, Brigitte,Furet, Pascal,Garcia-Echeverria, Carlos,End, Nicole,Caravatti, Giorgio

, p. 221 - 226 (2007/10/03)

Highly potent inhibitors of the Grb2-SH2 domain have been synthesized. They share the common sequence: Ac-Pmp-Ac6c-Asn-NH-(3-indolyl-propyl). Different substituents at the 3-indolyl-propylamine C-terminal group were explored to further improve the activity. This is the first example of inhibitors of SH2 domains with sub-nanomolar affinity reported to date.

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