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N-Allyl-N-(9H-purin-6-yl)amine, also known as 9-allyl-6-aminopurine, is an organic compound with the chemical formula C8H10N6. It is a derivative of purine, a heterocyclic aromatic organic compound consisting of a pyrimidine ring fused to an imidazole ring. N-ALLYL-N-(9H-PURIN-6-YL)AMINE features an allyl group attached to the nitrogen atom at the 9-position of the purine ring and an amino group at the 6-position. N-Allyl-N-(9H-purin-6-yl)amine is known for its role as an intermediate in the synthesis of certain pharmaceuticals and has potential applications in the development of antiviral and anticancer drugs. Its structure and properties make it a valuable compound for research in medicinal chemistry and drug design.

5446-37-7

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5446-37-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5446-37-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,4 and 6 respectively; the second part has 2 digits, 3 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 5446-37:
(6*5)+(5*4)+(4*4)+(3*6)+(2*3)+(1*7)=97
97 % 10 = 7
So 5446-37-7 is a valid CAS Registry Number.
InChI:InChI=1/C8H9N5/c1-2-3-9-7-6-8(11-4-10-6)13-5-12-7/h2,4-6H,1,3H2,(H,9,10,11,12,13)

5446-37-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name N-prop-2-enyl-7H-purin-6-amine

1.2 Other means of identification

Product number -
Other names 6-(N-allylamino)purine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5446-37-7 SDS

5446-37-7Relevant academic research and scientific papers

Chemoenzymatic synthesis of cytokinins from nucleosides: Ribose as a blocking group

Oslovsky, Vladimir E.,Solyev, Pavel N.,Polyakov, Konstantin M.,Alexeev, Cyril S.,Mikhailov, Sergey N.

, p. 2156 - 2163 (2018/03/26)

Nucleoside phosphorylases are involved in the salvage pathways of nucleoside biosynthesis and catalyze the reversible reaction of a nucleobase with α-d-ribose-1-phosphate to yield a corresponding nucleoside and an inorganic phosphate. The equilibrium of these reactions is shifted towards nucleosides, especially in the case of purines. Purine nucleoside phosphorylase (PNP, EC 2.4.2.1) is widely used in labs and industry for the synthesis of nucleosides of practical importance. Bacterial PNPs have relatively broad substrate specificity utilizing a wide range of purines with different substituents to form the corresponding nucleosides. To shift the reaction in the opposite direction we have used arsenolysis instead of phosphorolysis. This reaction is irreversible due to the hydrolysis of the resulting α-d-ribose-1-arsenate. As a result, heterocyclic bases are formed in quantitative yields and can be easily isolated. We have developed a novel method for the preparation of cytokinins based on the enzymatic cleavage of the N-glycosidic bond of N6-substituted adenosines in the presence of PNP and Na2HAsO4. According to the HPLC analysis the conversion proceeds in quantitative yields. In the proposed strategy the ribose residue acts as a protective group. No contamination of the final products with AsO43- has been detected via HPLC-HRMS; simple analytical arsenate detection via ESI-MS has been proposed.

Chemical modification of the plant isoprenoid cytokinin N 6-isopentenyladenosine yields a selective inhibitor of human enterovirus 71 replication

Tararov, Vitali I.,Tijsma, Aloys,Kolyachkina, Svetlana V.,Oslovsky, Vladimir E.,Neyts, Johan,Drenichev, Mikhail S.,Leyssen, Pieter,Mikhailov, Sergey N.

, p. 406 - 413 (2015/02/19)

In this study, we demonstrate that N6-isopentenyladenosine, which essentially is a plant cytokinin-like compound, exerts a potent and selective antiviral effect on the replication of human enterovirus 71 with an EC50 of 1.0 ± 0.2 ?1/4M and a selectivity index (SI) of 5.7. The synthesis of analogs with modification of the N6-position did not result in a lower EC50 value. However, in particular with the synthesis of N6-(5-hexene-2-yne-1-yl)adenosine (EC50 Combining double low line 4.3 ± 1.5 ?1/4M), the selectivity index was significantly increased: because of a reduction in the adverse effect of this compound on the host cells, an SI > 101 could be calculated. With this study, we for the first time provide proof that a compound class that is based on the plant cytokinin skeleton offers an interesting starting point for the development of novel antivirals against mammalian viruses, in the present context in particular against enterovirus 71.

Chemical modification of the plant isoprenoid cytokinin N6-isopentenyladenosine yields a selective inhibitor of human enterovirus 71 replication

Tararov, Vitali I.,Tijsma, Aloys,Kolyachkina, Svetlana V.,Oslovsky, Vladimir E.,Neyts, Johan,Drenichev, Mikhail S.,Leyssen, Pieter,Mikhailov, Sergey N.

, p. 406 - 413 (2015/05/04)

In this study, we demonstrate that N6-isopentenyladenosine, which essentially is a plant cytokinin-like compound, exerts a potent and selective antiviral effect on the replication of human enterovirus 71 with an EC50 of 1.0 ± 0.2 mM and a selectivity index (SI) of 5.7. The synthesis of analogs with modification of the N6-position did not result in a lower EC50 value. However, in particular with the synthesis of N6-(5-hexene-2-yne-1-yl)adenosine (EC50 = 4.3 ± 1.5 mM), the selectivity index was significantly increased: because of a reduction in the adverse effect of this compound on the host cells, an SI 101 could be calculated. With this study, we for the first time provide proof that a compound class that is based on the plant cytokinin skeleton offers an interesting starting point for the development of novel antivirals against mammalian viruses, in the present context in particular against enterovirus 71.

Synthesis and antiviral evaluation of bis(POM) prodrugs of (E)-[4′-phosphono-but-2′-en-1′-yl]purine nucleosides

Pradère, Ugo,Roy, Vincent,Montagu, Aurélien,Sari, Ozkan,Hamada, Manabu,Balzarini, Jan,Snoeck, Robert,Andrei, Graciela,Agrofoglio, Luigi A.

, p. 126 - 133 (2013/01/15)

Seventeen hitherto unknown bis(POM) prodrugs of novel (E)-[4′- phosphono-but-2′-en-1′-yl]purine nucleosides were prepared in a straight approach and at good yields. Those compounds were synthesized by the reaction of purine nucleobases directly with the p

Studies towards the synthesis of atp analogs as potential glutamine synthetase inhibitors

Salisu, Sheriff,Kenyon, Colin,Kaye, Perry T.

experimental part, p. 2216 - 2225 (2011/06/28)

In research directed at the development of adenine triphosphate (ATP) analogs as potential glutamine synthetase (GS) inhibitors, adenine and allopurinol derivatives have been synthesized either as novel ATP analogs or as scaffolds for the construction of

Regioselective alkylation of the exocyclic nitrogen of adenine and adenosine by the Mitsunobu reaction

Fletcher, Steven

experimental part, p. 2948 - 2950 (2010/06/21)

A novel synthetic route to N6-substitution of adenine is presented, employing the Mitsunobu reaction as the key step. A range of primary and secondary alcohols all coupled in very good to excellent yields within 30 min at 45 °C, offering a milder alternative to the traditional nucleophilic aromatic substitution of 6-chloropurine. The utility of this protocol is further demonstrated by its application to the syntheses of N6,N9-di-substituted adenines, including the potent and selective A1 adenosine receptor agonist N6-cyclopentyladenosine.

Synthesis and cytostatic activity of N-[2-(phosphonomethoxy)alkyl] derivatives of N6-substituted adenines, 2,6-diaminopurines and related compounds

Holy, Antonin,Votruba, Ivan,Tloustova, Eva,Masojidkova, Milena

, p. 1545 - 1592 (2007/10/03)

N6-Substituted adenine and 2,6-diaminopurine derivatives of 9-[2-(phosphonomethoxy)ethyl] (PME), 9-[(R)-2-(phosphonomethoxy)propyl] [(R)-PMP] and enantiomeric (S)-PMP series were synthesized by reactions of primary or secondary amines with 6-chloro-9-{[2-(diisopropoxyphosphoryl)methoxy]alkyl}purines (26-28) or 2-amino-6-chloro-9-{[2-(diisopropoxyphosphoryl)methoxy]alkyl}purines (29-31) followed by treatment of the diester intermediates 32 with bromo(trimethyl)silane and hydrolysis. Diesters 32 were also obtained by reaction of N6-substituted purines with synthons 23-25 bearing diisopropoxyphosphoryl group. Alkylation of 2-amino-6-chloropurine (9) with diethyl [2-(2-chloroethoxy)ethyl]phosphonate (148) gave the diester 149 which was analogously converted to N6-substituted 2,6-diamino-9-[2-(2-phosphonoethoxy)ethyl]purines 151-153. Alkylation of N6-substituted 2,6-diaminopurines with (R)-[(trityloxy)methyl]oxirane (155) followed by reaction of thus-obtained intermediates 156 with dimethylformamide dimethylacetal and condensation with diisopropyl [(tosyloxy)methyl]phosphonate (158) followed by deprotection of the intermediates 159 gave N6-substituted 2,6-diamino-9-[(S)-3-hydroxy-2-(phosphononiethoxy)propyl]purines 160-163. The highest cytostatic activity in vitro was exhibited by the following N6-derivatives of 2,6-diamino-9-[2-(phosphonomethoxy)ethyl]purine (PMEDAP): 2,2,2-trifluoroethyl (53), allyl (54), [(2-dimethylamino)ethyl] (68), cyclopropyl (75) and dimethyl (91). In CCRF-CEM cells, the cyclopropyl derivative 75 is deaminated to the guanine derivative PMEG (3) which is then converted to its diphosphate.

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