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1-(4-(methylthio)phenyl)pentan-1-one is a chemical compound with the molecular formula C12H16OS, belonging to the ketone group. It features a pentanone chain with a substituted phenyl ring, where a methylthio group is attached to the phenyl ring, indicating the presence of a sulfur atom bonded to a methyl group. 1-(4-(methylthio)phenyl)pentan-1-one is utilized in various applications across different industries and should be handled with care due to potential health and environmental risks.

42916-75-6

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42916-75-6 Usage

Uses

Used in Fragrance and Flavor Production:
1-(4-(methylthio)phenyl)pentan-1-one is used as a key component in the fragrance and flavor industry for creating unique and distinct scents and tastes. Its chemical structure contributes to the development of novel aromas and flavors, enhancing the sensory experience of various products.
Used in Organic Synthesis:
In the field of organic synthesis, 1-(4-(methylthio)phenyl)pentan-1-one serves as an intermediate or building block for the creation of more complex molecules. Its versatile structure allows for further chemical reactions, leading to the synthesis of a wide range of compounds with diverse applications.
Used in Pharmaceutical Industry:
1-(4-(methylthio)phenyl)pentan-1-one is used as a starting material or intermediate in the development of pharmaceutical compounds. Its unique structure can be modified to create new drugs with potential therapeutic applications, contributing to the advancement of medical treatments.
Used in Chemical Research:
1-(4-(methylthio)phenyl)pentan-1-one is also utilized in chemical research to study various reaction mechanisms and to understand the properties of similar molecules. It can be employed as a reference or control in experiments, aiding in the discovery of new chemical reactions and insights into the behavior of related compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 42916-75-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,2,9,1 and 6 respectively; the second part has 2 digits, 7 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 42916-75:
(7*4)+(6*2)+(5*9)+(4*1)+(3*6)+(2*7)+(1*5)=126
126 % 10 = 6
So 42916-75-6 is a valid CAS Registry Number.

42916-75-6Relevant academic research and scientific papers

Nitric Oxide-Releasing Selective Estrogen Receptor Modulators: A Bifunctional Approach to Improve the Therapeutic Index

Bechmann, Nicole,Kniess, Torsten,Pietzsch, Jens

, p. 6525 - 6539 (2019/06/17)

When using selective estrogen receptor modulators (SERMs) in cancer therapy, adverse effects such as endothelial dysfunction have to be considered. Estrogens and, consequently, SERMs regulate the synthesis of vasoactive nitric oxide (?NO). We h

Synthesis and biological evaluation of acyclic triaryl (Z)-olefins possessing a 3,5-di-tert-butyl-4-hydroxyphenyl pharmacophore: Dual inhibitors of cyclooxygenases and lipoxygenases

Moreau, Anne,Praveen Rao,Knaus, Edward E.

, p. 5340 - 5350 (2008/02/07)

A new class of regioisomeric acyclic triaryl (Z)-olefins possessing a 3,5-di-tert-butyl-4-hydroxyphenyl (DTBHP) 5-lipoxygenase (5-LOX) pharmacophore that is vicinal to a para-methanesulfonylphenyl cyclooxygenase-2 (COX-2) pharmacophore were designed for evaluation as selective COX-2 and/or 5-LOX inhibitors. The target compounds were synthesized via a highly stereoselective McMurry olefination cross-coupling reaction. This key synthetic step afforded a (Z):(E) olefinic mixture with a predominance for the (Z)-olefin stereoisomer. Structure-activity studies for the (Z)-1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(4-methanesulfonylphenyl)-1-phenylalk-1-ene regioisomers showed that COX-1 inhibition decreased, COX-2 inhibition increased, and the COX-2 selectivity index (SI) increased as the chain length of the alkyl substituent attached to the olefinic double bond was increased (Et → n-butyl → n-heptyl). In this group of compounds, inhibition of both 5-LOX and 15-LOX was dependent upon the length of the alkyl substituent with the hex-1-ene compound 9c having a n-butyl substituent exhibiting potent inhibition of both 5-LOX (IC50 = 0.3 μM) and 15-LOX (IC50 = 0.8 μM) relative to the inactive (IC50 > 10 μM) Et and n-heptyl analogs. Compound 9c is of particular interest since it also exhibits a dual inhibitory activity against the COX (COX-1 IC50 = 3.0 μM, and COX-2 IC50 = 0.36 μM, COX-2 SI = 8.3) isozymes. A comparison of the relative inhibitory activities of the two groups of regioisomers investigated shows that the regioisomers in which the alkyl substituent is attached to the same olefinic carbon atom (C-2) as the para-methanesulfonylphenyl moiety generally exhibit a greater potency with respect to COX-2 inhibition. The 4-hydroxy substituent in the 3,5-di-tert-butyl-4-hydroxyphenyl moiety is essential for COX and LOX inhibition since 3,5-di-tert-butyl-4-acetoxyphenyl derivatives were inactive inhibitors. These structure-activity data indicate acyclic triaryl (Z)-olefins constitute a suitable template for the design of dual COX-2/LOX inhibitors.

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