873556-45-7

Basic information

• Product Name: tert-butyl 9-((3aR,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-ylcarbamate
• Synonyms: tert-butyl 9-((3aR,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-ylcarbamate;ert-butyl 9-((3aR,4R,6R,6aR)-6-(aMinoMethyl)-2,2-diMethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-ylcarbaMate;Adenosine, 5'-aMino-5'-deoxy-N-[(1,1-diMethylethoxy)carbonyl]-2',3'-O-(1-Methylethylidene)-;5'-Amino-5'-deoxy-N-[(1,1-dimethylethoxy)carbonyl]-2',3'-O-(1-methylethylidene)-adenosine
• CAS NO: 873556-45-7
• Molecular Formula: C₁₈H₂₆N₆O₅
• Molecular Weight: 406.43624
• Mol File: 873556-45-7.mol
• Article Data: 6

Chemical Properties

• Appearance: /
• CAS DataBase Reference: tert-butyl 9-((3aR,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-ylcarbamate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl 9-((3aR,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-ylcarbamate(873556-45-7)
• EPA Substance Registry System: tert-butyl 9-((3aR,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-ylcarbamate(873556-45-7)

Safety Data

• Hazardous Substances Data: 873556-45-7(Hazardous Substances Data)

Usage

General Description

Tert-butyl 9-((3aR,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-ylcarbamate is a complex chemical compound with a purine structure and a carbamate functional group. The compound contains a tert-butyl group, which is a branched alkyl group, and a 9H-purin-6-ylcarbamate group. It also contains a tetrahydrofuro[3,4-d][1,3]dioxol-4-yl group, which is a cyclic ether with additional functional groups attached. The compound is also characterized by aminomethyl and dimethyl substituents. Its intricate structure suggests potential biological activities and pharmaceutical applications, but further research and analysis are necessary to fully understand its properties and potential uses.

Upstream product

• 873556-44-6 tert-butyl (9-((3aR,4R,6R,6aR)-6-(azidomethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-yl)carbamate 
• 24424-99-5 di-tert-butyl dicarbonate 
• 34245-48-2 5'-azido-5'-deoxy-2',3'-O-isopropylidene adenosine 
• 686301-05-3 tert-butyl (9-((3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-yl)carbamate 
• 913823-87-7 tert-butyl (9-((3aR,4R,6R,6aR)-6-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-yl)carbamate 
• 362-75-4 2',3'-isopropylidene adenosine 
• 139301-93-2 9-((3aR,4R,6R,6aR)-6-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-amine 
• 58-61-7 adenosine 

Downstream Products

• 939793-76-7 (E)-5'-deoxy-5'-N-({[2-(2-hydroxyphenyl)ethenyl]sulfonyl}amino)adenosine 
• 939794-41-9 (E)-5'-deoxy-5'-N-({2-[2-(methoxymethoxy)phenyl]ethenyl}sulfonyl)amino-2',3'-O-isopropylideneadenosine 
• 939794-46-4 (E)-5'-amino-N₆-tert-butoxycarbonyl-5'-deoxy-5'-N-{[3-(2-methoxymethoxy)phenyl]prop-2-ene-1-oyl}-2',3'-O-isopropylideneadenosine 
• 939794-38-4 5'-amino-5'-N-{[(2-benzyloxybenzoyl)amino]carbonyl}-N₆-t-butoxycarbonyl-5'-deoxyadenosine 
• 939794-50-0 5-amino-N₆-tert-butoxycarbonyl-5'-deoxy-5'-N-{[3-(2-methoxymethoxy)phenyl]prop-2-yn-1-oyl}-2',3'-O-isopropylideneadenosine 
• 1094677-96-9 6-N-t-butoxycarbonyl-2',3'-O-isopropylidene-5'-N-(N-[benzyloxycarbonyl]sulfamoyl)aminodeoxyadenosine 
• 1094678-23-5 (E)-6-N-t-butoxycarbonyl-2',3'-O-isopropylidene-5'-N-(5''-[2'''-(methoxycarbonyl)phenyl]-5''-oxopent-1''-ene-1''-sulfonyl)aminodeoxyadenosine 
• 1094678-28-0 (E)-6-N-t-butoxycarbonyl-2',3'-O-isopropylidene-5'-N-(5''-[2'''-(methoxycarbonyl)phenyl]hexa-1'',5''-diene-1''-sulfonyl)aminodeoxyadenosine 

Relevant articles and documents

NOVEL HISTONE METHYLTRANSFERASE INHIBITORS

The present invention relates to novel compounds of formula (I) as defined herein. The compounds are inhibitors of histone methyltransferases of the seven-beta-strand family, in particular of KMT9.

Mechanism-based inhibitors of MenE, an acyl-CoA synthetase involved in bacterial menaquinone biosynthesis

Menaquinone (vitamin K2) is an essential component of the electron transfer chain in many pathogens, including Mycobacterium tuberculosis and Staphylococcus aureus, and menaquinone biosynthesis is a potential target for antibiotic drug discovery. We report herein a series of mechanism-based inhibitors of MenE, an acyl-CoA synthetase that catalyzes adenylation and thioesterification of o-succinylbenzoic acid (OSB) during menaquinone biosynthesis. The most potent compound inhibits MenE with an IC50 value of 5.7 μM.

5′-O-[(N-acyl)sulfamoyl]adenosines as antitubercular agents that inhibit MbtA: An adenylation enzyme required for siderophore biosynthesis of the mycobactins

A study of the structure - activity relationships of 5′-O-[N- (salicyl)sulfamoyl]adenosine (6), a potent inhibitor of the bifunctional enzyme salicyl-AMP ligase (MbtA, encoded by the gene Rv2384) in Mycobacterium tuberculosis, is described, targeting the salicyl moiety. A systematic series of analogues was prepared exploring the importance of substitution at the C-2 position revealing that a hydroxy group is required for optimal activity. Examination of a series of substituted salicyl derivatives indicated that substitution at C-4 was tolerated. Consequently, a series of analogues at this position provided 4-fluoro derivative, which displayed an impressive MIC 99 of 0.098 μM against whole-cell M. tuberculosis under iron-limiting conditions. Examination of other heterocyclic, cycloalkyl, alkyl, and aminoacyl replacements of the salicyl moiety demonstrated that these nonconserative modifications were poorly tolerated, a result consistent with the fairly strict substrate specificities of related non-ribosomal peptide synthetase adenylation enzymes.