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TERT-BUTYL 3-(CYANOMETHYL)-5-METHOXY-1H-INDOLE-1-CARBOXYLATE is a complex chemical compound that is a derivative of 5-methoxy-1H-indole-3-carboxylic acid. It features a tert-butyl group attached to the nitrogen atom and a cyanomethyl group on the third carbon atom, contributing to its unique molecular structure. TERT-BUTYL 3-(CYANOMETHYL)-5-METHOXY-1H-INDOLE-1-CARBOXYLATE is recognized for its potential pharmacological properties and is widely utilized in the pharmaceutical industry as a key building block in the synthesis of various drugs and biologically active molecules.

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  • 896101-79-4 Structure
  • Basic information

    1. Product Name: TERT-BUTYL 3-(CYANOMETHYL)-5-METHOXY-1H-INDOLE-1-CARBOXYLATE
    2. Synonyms: TERT-BUTYL 3-(CYANOMETHYL)-5-METHOXY-1H-INDOLE-1-CARBOXYLATE
    3. CAS NO:896101-79-4
    4. Molecular Formula: C16H18N2O3
    5. Molecular Weight: 286.32572
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 896101-79-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: TERT-BUTYL 3-(CYANOMETHYL)-5-METHOXY-1H-INDOLE-1-CARBOXYLATE(CAS DataBase Reference)
    10. NIST Chemistry Reference: TERT-BUTYL 3-(CYANOMETHYL)-5-METHOXY-1H-INDOLE-1-CARBOXYLATE(896101-79-4)
    11. EPA Substance Registry System: TERT-BUTYL 3-(CYANOMETHYL)-5-METHOXY-1H-INDOLE-1-CARBOXYLATE(896101-79-4)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 896101-79-4(Hazardous Substances Data)

896101-79-4 Usage

Uses

Used in Pharmaceutical Industry:
TERT-BUTYL 3-(CYANOMETHYL)-5-METHOXY-1H-INDOLE-1-CARBOXYLATE is used as a key intermediate in the synthesis of drugs and biologically active molecules for various therapeutic applications. Its unique structure allows it to be a versatile component in the development of new pharmaceuticals, contributing to the advancement of medicine and healthcare.
As with any chemical compound, TERT-BUTYL 3-(CYANOMETHYL)-5-METHOXY-1H-INDOLE-1-CARBOXYLATE should be handled with care, adhering to established safety protocols to ensure the well-being of those involved in its production, use, and research.

Check Digit Verification of cas no

The CAS Registry Mumber 896101-79-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,9,6,1,0 and 1 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 896101-79:
(8*8)+(7*9)+(6*6)+(5*1)+(4*0)+(3*1)+(2*7)+(1*9)=194
194 % 10 = 4
So 896101-79-4 is a valid CAS Registry Number.

896101-79-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 3-(cyanomethyl)-5-methoxyindole-1-carboxylate

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:896101-79-4 SDS

896101-79-4Relevant articles and documents

Substituted heteroaryl compounds and compositions and uses thereof

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Paragraph 0183; 0185-0188, (2019/06/05)

The present invention relates to a novel heteroaromatic compound, and a pharmaceutical composition containing the compound. The heteroaromatic compound or pharmaceutical composition containing the compound can be used for exciting a melatonin receptor. The present invention also relates to a preparation method of the compound and pharmaceutical composition thereof, and application of the compound and pharmaceutical composition in treating central nervous system dysfunction of mammals especially human.

Indole derivatives and their application on the medicament

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Paragraph 0187-0190, (2017/01/05)

The invention provides a series of indole derivatives or stereoisomers, tautomers, nitrogen oxides, metabolic products and pharmaceutically acceptable salts or prodrugs thereof. The indole derivatives can be taken as melatonin receptor stimulants. The invention also discloses a pharmaceutical composition containing the compounds, and a use of the compounds or the pharmaceutical composition of the compounds in treating the functional disorder of the central nervous system of mammal and in particular human.

Use of derivatives of indoles for the treatment of cancer

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Page/Page column 57; 58, (2016/01/09)

The present invention relates to the use of derivatives of indoles having a general formula (I) as follow: for the manufacture of a pharmaceutical composition intended for the treatment of cancer.

Use of derivatives of indoles for the treatment of cancer

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, (2011/01/12)

The present invention relates to the use of derivatives of indoles having a general formula (I) as follow: for the manufacture of a pharmaceutical composition intended for the treatment of cancer.

The discovery of carboline analogs as potent MAPKAP-K2 inhibitors

Wu, Jiang-Ping,Wang, Ji,Abeywardane, Asitha,Andersen, Denise,Emmanuel, Michel,Gautschi, Elda,Goldberg, Daniel R.,Kashem, Mohammed A.,Lukas, Susan,Mao, Wang,Martin, Leslie,Morwick, Tina,Moss, Neil,Pargellis, Christopher,Patel, Usha R.,Patnaude, Lori,Peet, Gregory W.,Skow, Donna,Snow, Roger J.,Ward, Yancey,Werneburg, Brian,White, Andre

, p. 4664 - 4669 (2008/02/13)

The discovery of a series of potent, carboline-based MK2 inhibitors is described. These compounds inhibit MK2 with IC50s as low as 10 nM, as measured in a DELFIA assay. An X-ray crystal structure reveals that they bind in a region near the p-lo

Mapping the melatonin receptor. 7. Subtype selective ligands based on β-substituted N-acyl-5-methoxytryptamines and β-Substituted N-acyl-5-methoxy-1-methyltryptamines

Tsotinis, Andrew,Vlachou, Margarita,Papahatjis, Demetris P.,Calogeropoulou, Theodora,Nikas, Spyros P.,Garratt, Peter J.,Piccio, Vincent,Vonhoff, Stefan,Davidson, Kathryn,Teh, Muy-Teck,Sugden, David

, p. 3509 - 3519 (2007/10/03)

A series of β-substituted and β,β-disubstituted N-acyl 5-methoxy-1-methyltryptamines and 5-methoxytryptamines have been prepared as melatonin analogues to investigate the nature of the binding site of the melatonin receptor. The affinity of analogues was determined in a radioligand binding assay using cloned human MT1 and MT2 receptor subtypes expressed in NIH 3T3 cells. Agonist and antagonist potency of all analogues was measured using the pigment aggregation response of a clonal line of Xenopus laevis melanophores, β-Methylmelatonin (17a) and β,β-dimethylmelatonin (17b), though showing a slight decrease in binding at human receptors, show an increase in potency on Xenopus, N-Butanoyl 5-methoxy-1-methyl-β,β-trimethylenetryptamine (12c) is an antagonist at human MT1 receptors but an agonist at MT2, while N-butanoyl 5-methoxy-1-methyl-β,β-tetramethylenetryptamine (13c) is an antagonist at MT1 but had no action at MT2 and is one of the first examples of an MT1 selective antagonist.

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