120355-42-2

Basic information

• Product Name: (3AS,4S,6R,6AR)-6-(6-chloro-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid
• Synonyms: (3AS,4S,6R,6AR)-6-(6-chloro-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid;(3aS,4S,6R,6aR)-6-(6-chloro-9H-purin-9-yl)-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylic acid
• CAS NO: 120355-42-2
• Molecular Formula: C₁₃H₁₃ClN₄O₅
• Molecular Weight: 340.71912
• Mol File: 120355-42-2.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: (3AS,4S,6R,6AR)-6-(6-chloro-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (3AS,4S,6R,6AR)-6-(6-chloro-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid(120355-42-2)
• EPA Substance Registry System: (3AS,4S,6R,6AR)-6-(6-chloro-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid(120355-42-2)

Safety Data

• Hazardous Substances Data: 120355-42-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Development:
(3AS,4S,6R,6AR)-6-(6-chloro-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid is used as a potential pharmaceutical candidate for the development of new drugs. The presence of a chloro-substituted purine ring suggests that this compound may have modulatory effects on biological activity, which is often desirable in drug discovery. Its unique structure could be harnessed to target specific biological pathways or receptors, offering new therapeutic options.
Used in Chemical Research:
In the field of chemical research, (3AS,4S,6R,6AR)-6-(6-chloro-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid serves as a subject for studying the synthesis and modification of complex organic molecules. Understanding the reactivity and properties of this compound can provide insights into the design of new chemical entities with tailored properties for various applications.
Used in Biochemical Studies:
(3AS,4S,6R,6AR)-6-(6-chloro-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid is utilized in biochemical studies to explore its interactions with biological systems. (3AS,4S,6R,6AR)-6-(6-chloro-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid's structure, which includes elements commonly found in biologically active molecules, makes it a candidate for investigating its potential binding to proteins, enzymes, or other biomolecules, which could reveal new mechanisms of action or therapeutic targets.

Upstream product

• 39824-26-5 6-chloro-9-(2,3-O-isopropylidene-β-D-ribofuranosyl)-9H-purine 
• 2004-06-0 6-Chloropurine riboside 

Downstream Products

• 152918-47-3 2',3'-isopropylidene-1-(6-chloro-9H-purin-9-yl)-1-deoxy-N-methyl-β-D-ribofuranosiduronamide 
• 152918-18-8 N⁶-(3-iodobenzyl)adenosine-5'-N-methyluronamide 
• 1325711-75-8 2-[6-(4-methoxybenzylamino)purin-9-yl]-5-(1H-tetrazol-5-yl)tetrahydrofuran-3,4-diol 
• 1325711-88-3 C₂₁H₂₃N₉O₄ 
• 1325711-77-0 C₂₁H₂₂N₆O₄ 
• 1325711-74-7 3,4-dihydroxy-5-[6-(4-hydroxybenzylamino)purin-9-yl]tetrahydrofuran-2-carboxylic acid ethylamide 
• 1325711-87-2 C₂₂H₂₆N₆O₅ 

Relevant articles and documents

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PROCESSES FOR PRODUCTION OF NUCLEOSIDES

The present invention relates to a production method of a nucleoside compound represented by the formula [II] which includes subjecting a 2',3',5'-triacyloxynucleoside compound represented by the formula [I] to deacylation using alkali metal hydroxide in a 0.01- to 0.5-fold amount in a molar ratio relative to the 2',3',5'-triacyloxynucleoside compound. According to the present invention, a production method of a nucleoside compound of the formula [II] which suppresses a by-product, and a production method of a nucleoside derivative which utilizes this method can be provided. In addition, the present invention relates to oxidation of a nucleoside compound represented by the formula (1) in the presence of a 2,2,6,6-tetramethylpiperidine-1-oxy catalyst, and hypochlorite or hypobromite, while adjusting pH to fall within the range of 5-9, and further, extracting a nucleoside-carboxylic acid compound represented by the formula (2) into an organic solvent under acidic conditions, back-extracting the compound from the organic solvent into an aqueous alkali solution, and neutralizing the aqueous alkali solution by adding an acid thereto to allow precipitation of a crystal. Thus, a highly pure particular nucleoside-carboxylic acid compound or a salt thereof can be produced by a method suitable for industrial production: wherein each symbol is as defined in the Description.

THERAPEUTIC COMPOUNDS

Use of compounds of general formula (A) as medicaments is described, in particular for the treatment of pain or inflammation; wherein: (I) when X = OH, R2 = NH2, R5 = CH2OH, R6 = H , R1 is C5-C6 alkoxy, OCH2Cyclopropyl, O-(2,2,3,3-tetrafluoro-cycloButyl), phenoxy, substituted phenoxy, OCH2CH2OH, or OCH2CHF2, (5-indanyl)oxy, C1, C2, C5, or C6 alkylamino, (R) or (S)-sec-Butylamino, C5 or C6 cycloalkylamino, exo-norbornane amino, (N-methyl, N--isoamylamino), phenylamino, phenylamino with either rnethoxy or fluoro substituents, a C2 sulfone group, a C2 alkyl group, a cyano group, a CONH2 group, or 3,5-dimethylphenyl; or when X = H, R2 = NH2, R5 = CH2OH , R6 = H, R1 is n-hexyloxy; or (II) when X = OH , R1 = H, R5 = CH2OH, R6 = H, R2 is NMe2, N-(2-isopentenyl), piperazinyl, (N-Me, N-benzyl), (N-Me, N-CH2Ph(3-Br)), (N-Me, N--CH2Ph(3-CF3)), or (N-Me, N-(2-rnethoxyethyl)), or OCH2Cyclopentyl; or (III) when X = OH, R5 = CONHR3, R6 = H: R1 is H, R3 is an isopropyl group, and R2 is either NH2 or a methylamino group (NHMe) or an isoamyl group (CH2CH2CHMe2); or R1 is H, R3 is H, and R2 is NH2; or R1 is OMe, R3 is Ph, and R2 is NH2; or R1 is NHCH2CH2CH2CH2CH2Me, R3 is CH2CH2CH2Me, and R2 is NH2; or (IV) when X = OH, R1 = H, R2 = NH2, R5 = CH2NHCOR.4, R6 = H, R4 is n-propyl or NHCH2CH3; or (V) when X = OH, R5 = CH2OH, R6 = H: R1 is NHCyclohexyl when R2 is NMe2; or R1 is OMe when R2 is NHBenzyl; or (VI) when X = OH , R2 = NH2, R5 = CH2OH, R6 = Me, R1 is NHCyclohexyl or NHCyclopentyl.