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4-(propylamino)benzonitrile, also known as PABN, is a substituted benzonitrile with a propylamino group at the 4-position of the benzene ring. It is a highly efficient and selective substrate for the cytochrome P450 2B6 enzyme, making it a valuable chemical tool in drug metabolism and toxicology research.

4714-64-1

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4714-64-1 Usage

Uses

Used in Drug Metabolism Studies:
4-(propylamino)benzonitrile is used as a selective substrate for cytochrome P450 2B6 enzyme in drug metabolism studies. Its ability to selectively induce CYP2B6 activity allows researchers to investigate the enzyme's role in the metabolism of various drugs and its potential interactions with other compounds.
Used in Drug Interaction Studies:
4-(propylamino)benzonitrile is used as a tool in drug interaction studies to evaluate the impact of different compounds on the activity of cytochrome P450 2B6 enzyme. This helps in understanding the potential for drug-drug interactions and the influence of various factors on drug metabolism.
Used in Pharmaceutical and Agrochemical Synthesis:
4-(propylamino)benzonitrile serves as a building block for the synthesis of various pharmaceutical and agrochemical compounds. Its unique chemical structure and reactivity make it a valuable component in the development of new drugs and agrochemicals with specific therapeutic or pesticidal properties.
Used in In Vitro Metabolism Studies:
4-(propylamino)benzonitrile is used as a test compound in in vitro metabolism studies to assess the metabolic stability and biotransformation of drugs and other xenobiotics. This helps in predicting the metabolic fate of new chemical entities and optimizing their pharmacokinetic properties.

Check Digit Verification of cas no

The CAS Registry Mumber 4714-64-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,7,1 and 4 respectively; the second part has 2 digits, 6 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 4714-64:
(6*4)+(5*7)+(4*1)+(3*4)+(2*6)+(1*4)=91
91 % 10 = 1
So 4714-64-1 is a valid CAS Registry Number.

4714-64-1Downstream Products

4714-64-1Relevant academic research and scientific papers

Half-sandwich (η5-Cp?)Rh(iii) complexes of pyrazolated organo-sulfur/selenium/tellurium ligands: Efficient catalysts for base/solvent free C-N coupling of chloroarenes under aerobic conditions

Joshi, Raj Kumar,Sharma, Charu,Sharma, Kamal Nayan,Srivastava, Avinash Kumar

supporting information, p. 3599 - 3606 (2020/06/10)

Three new pyrazolated chalcogenoether ligated Rh(iii) half-sandwich complexes (1-3) were synthesised by the thermal reaction of chalcogenoether (S, Se and Te) substituted 1H-pyrazole ligands (L1-L3) and [(η5-C5Me5)RhCl]2 in methanol. The complexes were fully characterised by various spectroscopic techniques, and the molecular structures of complexes 1 and2 were also established through single crystal X-ray crystallographic analysis, which indicates a pseudo-octahedral half-sandwich piano-stool geometry around the rhodium metal. All three complexes were found to be thermally stable and insensitive towards air and moisture. One mol% of Rh(iii) complexes (1-3) along with 10 mol% of Cu(OAc)2 were explored for the Buchwald-Hartwig type C-N coupling reactions of amine and aryl chloride. Good to excellent yields (89-92%) of the coupling products were obtained with seleno- and thio-ether functionalised pyrazolated Rh(iii) complexes (1 and 2), while an average yield (39%) was obtained with the telluro-ether functionalised complex (3). In contrast to the previously reported C-N coupling reactions the present reaction works under solvent- and base-free conditions, and the coupling reaction is accomplished in just 6 h with a high yield of the coupling product. The present methodology was also found to be efficient for a wide variety of functionalised aryl halides, and aliphatic or aromatic amines (1° and 2°). Moreover, the reaction also enables the C-N coupling of electron-withdrawing substrates and base-sensitive functionalities.

Cp*Co(iii) and Cu(OAc)2bimetallic catalysis for Buchwald-type C-N cross coupling of aryl chlorides and amines under base, inert gas & solvent-free conditions

Srivastava, Avinash K.,Sharma, Charu,Joshi, Raj K.

supporting information, p. 8248 - 8253 (2020/12/29)

A strategy involving bimetallic catalysis with a combination of Cp?Co(CO)I2 and Cu(OAc)2 was used for performing Buchwald-type C-N coupling reactions of aryl chlorides with amines. The reactions proceeded at 100 °C to produce excellent yields of many of the desired C-N coupled products, in 4 h, under aerobic reaction conditions. The reactions were shown to run under base-free and solvent-free conditions, enabling this strategy to work efficiently for electron-withdrawing and base-sensitive functionalities. The presented methodology was found to be equally efficient for electron-donating functionalities as well as for primary (1°) and secondary (2°) aromatic and aliphatic amines. Moreover, the products were easily separated through the extractions of the organic aqueous layer, with this process chromatographic separations is not required.

Method of inhibiting neoplastic cells with imidazoquinazoline derivatives

-

, (2008/06/13)

A method for inhibiting neoplasia, particularly cancerous and precancerous lesions by exposing the affected cells to imidazoquinazoline derivatives.

Imidazoquinazoline derivatives

-

, (2008/06/13)

PCT No. PCT/JP97/03023 Sec. 371 Date Apr. 27, 1998 Sec. 102(e) Date Apr. 27, 1998 PCT Filed Aug. 29, 1997 PCT Pub. No. WO98/08848 PCT Pub. Date Mar. 5, 1998Imidazoquinoline derivatives of the formula (wherein X may be O or S) provide selective cyclic guanosine 3',5' monophosphate (cGMP)-specific phosphodiesterase (PDE) inhibitory activity. The compounds are useful for treating or ameliorating cardiovascular disease such as thrombosis, angina pectoris, hypertension, heart failure and arterial sclerosis, as well as asthma, impotence and the like.

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