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The chemical compound "[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undec-8-yl]methyl 4-methylbenzenesulfonate" is a complex, chiral molecule with a unique structure. It features a tricyclic core with three methyl groups at specific positions, and a methyl group attached to a 4-methylbenzenesulfonate moiety. [(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undec-8-yl]methyl 4-methylbenzenesulfonate is characterized by its stereochemistry, with the R, S, S, S, S configuration at the 1, 2, 7, 8, and 9 positions, respectively. The presence of the benzenesulfonate group suggests potential applications in areas such as pharmaceuticals or materials science, where such structures can be used as building blocks for more complex molecules or as active ingredients themselves. The compound's specific arrangement of atoms and functional groups may also influence its physical and chemical properties, making it a subject of interest for synthetic chemists and researchers in related fields.

4678-06-2

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4678-06-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4678-06-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,6,7 and 8 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 4678-06:
(6*4)+(5*6)+(4*7)+(3*8)+(2*0)+(1*6)=112
112 % 10 = 2
So 4678-06-2 is a valid CAS Registry Number.

4678-06-2Relevant academic research and scientific papers

STUDIES IN SESQUITERPENES-LV ISOLONGIFOLENE(PART 6): MECHANISM OF REARRANGEMENT OF LONGIFOLENE TO ISOLONGIFOLENE-I

Yadav, J. S.,Nayak, U. R.,Dev, Sukh

, p. 309 - 315 (1980)

The gross mechanism of rearrangement of longifolene to isolongifolene has been elucidated by using site-specifically labelled longifolene-4,4,5,5-d4 and shown to follow the pathway proposed by Berson et al., which involves an exo, exo Me shift, in preference to the endo, endo Me migration route proposed earlier.An efficient synthesis of longifolene-4,4,5,5-d4, the key compound in the present investigation, is described.

Isoform-selective inhibition of the human UDP-glucuronosyltransferase 2B7 by isolongifolol derivatives

Bichlmaier, Ingo,Kurkela, Mika,Joshi, Tanmaya,Siiskonen, Antti,Rüffer, Tobias,Lang, Heinrich,Suchanová, Bohumila,Vahermo, Mikko,Finel, Moshe,Yli-Kauhaluoma, Jari

, p. 2655 - 2664 (2008/02/02)

A set of 48 derivatives of the tricyclic sesquiterpenol alcohol isolongifolol was synthesized. The set comprised homochiral and diastereomeric alcohols, amines, chlorohydrins, as well as carboxylic acids, phosphonic acids, and their corresponding esters. The absolute configuration of the epimeric compounds was assigned by 2D NMR experiments [gradient heteronuclear single quantum correlation (gHSQC) and gradient nuclear Overhauser enhancement spectroscopy (gNOESY)] in agreement with crystallographic data. The tricyclic derivatives were assessed as inhibitors of the human UDP-glucuronosyltransferase (UGT) 2B7. The phenyl-substituted secondary alcohol 26b was the best inhibitor in this series and its competitive inhibition constant was 18 nM. Compound 26b was not glucuronidated by UGT2B7 and other hepatic UGT enzymes, presumably due to the high steric hindrance exerted by its bulky phenyl substituent. Its inhibitory activity toward 14 other UGT isoforms of subfamily 1A and 2B was determined, and the data indicated that the tricyclic secondary alcohol 26b was highly selective for UGT2B7 (true selectivity > 1000).

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