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(5E)-5-(dimethylaminomethylidene)-3-oxo-2,6,7,8-tetrahydroisoquinoline-4-carbonitrile is a complex heterocyclic molecule characterized by its tetrahydroisoquinoline ring system, a ketone group, a nitrile group, and a dimethylaminomethylidene side chain. (5E)-5-(dimethylaminomethylidene)-3-oxo-2,6,7,8-tetrahydroisoquinoline -4-carbonitrile may exhibit unique biological activities due to its structural features, which could allow it to interact with biological targets such as enzymes or receptors. As a result, it holds potential as a lead compound in medicinal chemistry and drug discovery for the development of new pharmaceuticals.

128767-22-6

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128767-22-6 Usage

Uses

Used in Medicinal Chemistry:
(5E)-5-(dimethylaminomethylidene)-3-oxo-2,6,7,8-tetrahydroisoquinoline-4-carbonitrile is used as a lead compound in medicinal chemistry for its potential to interact with biological targets such as enzymes or receptors. Its unique structure suggests that it could be developed into a new drug with specific therapeutic applications.
Used in Drug Discovery:
In the field of drug discovery, (5E)-5-(dimethylaminomethylidene)-3-oxo-2,6,7,8-tetrahydroisoquinoline-4-carbonitrile is used as a starting point for the development of novel pharmaceuticals. Its structural features make it a promising candidate for further research and optimization to enhance its biological activity and selectivity towards specific targets.
Used in Pharmaceutical Research:
(5E)-5-(dimethylaminomethylidene)-3-oxo-2,6,7,8-tetrahydroisoquinoline-4-carbonitrile is utilized in pharmaceutical research to explore its potential as a therapeutic agent. (5E)-5-(dimethylaminomethylidene)-3-oxo-2,6,7,8-tetrahydroisoquinoline -4-carbonitrile's properties, including solubility, stability, and toxicity, need to be investigated to determine its suitability for medical applications.
Used in Chemical Synthesis:
(5E)-5-(dimethylaminomethylidene)-3-oxo-2,6,7,8-tetrahydroisoquinoline -4-carbonitrile may also be used in chemical synthesis as a building block or intermediate for the creation of more complex molecules with specific biological activities. Its unique structural elements could be exploited to synthesize a variety of novel compounds with potential applications in various industries, including pharmaceuticals, agrochemicals, and materials science.

Check Digit Verification of cas no

The CAS Registry Mumber 128767-22-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,8,7,6 and 7 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 128767-22:
(8*1)+(7*2)+(6*8)+(5*7)+(4*6)+(3*7)+(2*2)+(1*2)=156
156 % 10 = 6
So 128767-22-6 is a valid CAS Registry Number.
InChI:InChI=1/C13H15N3O/c1-16(2)8-10-5-3-4-9-7-15-13(17)11(6-14)12(9)10/h7-8H,3-5H2,1-2H3,(H,15,17)/b10-8+

128767-22-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-(dimethylaminomethylidene)-3-oxo-2,6,7,8-tetrahydroisoquinoline-4-carbonitrile

1.2 Other means of identification

Product number -
Other names 4-Cyano-5-N,N-dimethylaminomethylene-2,3,5,6,7,8-hexahydroisoquinolin-3-one

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:128767-22-6 SDS

128767-22-6Downstream Products

128767-22-6Relevant academic research and scientific papers

ACETALS OF LACTAMS AND ACID AMIDES. 55. STUDY OF REACTION OF 3-OXOPYRIDINE AND ISOQUINOLIN-3-ONE DERIVATIVES WITH DIMETHYLFORMAMIDE DIETHYL ACETAL

Guss, L. T.,Ershov, L. V.,Bogdanova, G. A.,Granik, V. G.

, p. 183 - 188 (2007/10/02)

The reactions of 4-carbamoyl- and 4-cyanopyridin-3-one and 4-cyanoisoquinolin-3-one with DMFA diethyl acetal were studied, and hydrogenated di- and trimethylene derivatives of 2,7-naphthyridine-1,8-dione were synthesized.It was found that O- or N-alkylation reactions of the pyridone fragment of the starting bicyclic compounds take place together with the condensation of the DMFA acetal at the amide amino group or the active methylene unit.

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