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(2R,3S,4R,5R)-2-(hydroxyMethyl)-5-(6-((2-(Methylthio)ethyl)aMino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-3,4-diol is a complex organic compound with a unique molecular structure. It is characterized by its chiral centers at the 2nd, 3rd, 4th, and 5th positions, which are all in the R or S configuration. (2R,3S,4R,5R)-2-(hydroxyMethyl)-5-(6-((2-(Methylthio)ethyl)aMino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-3,4-diol features a hydroxymethyl group at the 2nd position, a tetrahydrofuran ring, and a 9H-purin-9-yl group at the 5th position. Additionally, it has a 6-((2-(methylthio)ethyl)amino)-2-((3,3,3-trifluoropropyl)thio) substitution pattern, which contributes to its potential biological activity.

163706-58-9

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163706-58-9 Usage

Uses

Used in Pharmaceutical Industry:
(2R,3S,4R,5R)-2-(hydroxyMethyl)-5-(6-((2-(Methylthio)ethyl)aMino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-3,4-diol is used as a key intermediate in the development of platelet P2T receptor antagonists. These antagonists have potential applications in antithrombotic therapy, which aims to prevent blood clot formation and reduce the risk of thrombotic disorders such as stroke, heart attack, and deep vein thrombosis. The unique structure and chiral configuration of (2R,3S,4R,5R)-2-(hydroxyMethyl)-5-(6-((2-(Methylthio)ethyl)aMino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-3,4-diol make it a promising candidate for the design and synthesis of novel therapeutic agents with improved efficacy and selectivity in treating thrombotic-related conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 163706-58-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,6,3,7,0 and 6 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 163706-58:
(8*1)+(7*6)+(6*3)+(5*7)+(4*0)+(3*6)+(2*5)+(1*8)=139
139 % 10 = 9
So 163706-58-9 is a valid CAS Registry Number.

163706-58-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name N6-(2-methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine

1.2 Other means of identification

Product number -
Other names Cangrelor Intermediate

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:163706-58-9 SDS

163706-58-9Downstream Products

163706-58-9Relevant academic research and scientific papers

Industrialized preparation method of Cangrelor intermediate

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Paragraph 0025; 0026; 0031; 0032, (2019/02/25)

The invention discloses an industrialized preparation method of a Cangrelor intermediate (shown as a formula I). After 6-chloro-2-((3,3,3-trifluoromethylpropyl)thio)-7H-purine react with 1,2,3,5-tetraacetyl-beta-D-ribofuranose under the action of Lewis acid, a product reacts with 2-(thiomethyl)ethylamine hydrochloride under an alkaline condition; a product is hydrolyzed under the alkaline condition to generate the Cangrelor intermediate. The method is low in technological cost, safe and reliable to operate and suitable for large-scale industrial production. The formula I is shown in the description.

Cangrelor intermediate and preparation method thereof

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, (2019/07/04)

The invention provides a preparation method of cangrelor key intermediate compound d. The target compound is prepared by subjecting a compound a as a start material to formyl protection, carrying outN-alkylation and carrying out deprotection reaction. The preparation method has the advantages of short route, good operational simplicity, high yield, low cost and low three-wastes. The invention also provides novel intermediate compounds b and c for preparing the compound d and a preparation method of the compounds b and c.

Preparation method and applications of cangrelor intermediates

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, (2018/11/03)

The invention discloses a preparation method and applications of cangrelor intermediates. According to the present invention, the intermediates comprise 2-chloro-N-(2-(methylthio)ethyl)-7H-purin-6-amine, and 2,6-dichloropurine and 2-methylthioethylamine a

Method for preparing cangrelor key intermediate by utilizing diaminomercaptopyrimidine

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Paragraph 0052; 0053; 0054, (2018/09/13)

The invention relates to a method for preparing a cangrelor key intermediate by utilizing diaminomercaptopyrimidine. The method takes 4,6-diamino-2-mercaptopyrimidine as a starting raw material and comprises the following steps: firstly, adding trifluoropropyl under an alkaline condition to obtain an intermediate 1; then adding amino to obtain an intermediate 2; then adding a glycosidic bond into2-[(3,3,3-trifluoropropyl)sulfenyl]-9H-purine-6-amino to obtain an intermediate 4; then adding acetyl to obtain an intermediate 5; then adding a branch chain to obtain an intermediate 6; finally, carrying out hydrolytic acidification to obtain the cangrelor key intermediate. According to the method provided by the invention, a synthetic product is a light yellow or yellow solid; liquid chromatography and mass spectrometry, and a nuclear magnetic hydrogen spectrum are used and can be used for determining that the yellow solid is a cangrelor key intermediate pure product. The method has the advantages of low cost, high yield, moderate reaction condition and simple post-treatment, and has a relatively great industrialized potential.

2-[(3,3,3-trifluoropropyl)thio]-6-amino-9H-purine and preparation method thereof

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Paragraph 0259; 0264; 0265-0267; 0270; 0273, (2018/05/16)

The invention discloses 2-[(3,3,3-trifluoropropyl)thio]-6-amino-9H-purine and a preparation method thereof. 2-[(3,3,3-trifluoropropyl)thio]-6-amino-9H-purine can be used for preparation of 6-N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]adenosine

Preparation method for 6-N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]adenosine

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Paragraph 0028; 0253-0270, (2018/05/16)

The invention discloses a preparation method for 6-N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]adenosine. The preparation method comprises the following steps: subjecting a compound as shown in a formula (8) to glycosylation so as to obtain a c

Kengreal intermediates as well as preparation methods and application thereof

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, (2017/08/27)

The invention discloses Kengreal intermediates as well as preparation methods and an application thereof. The intermediates respectively comprise chemical structures as shown in formula VI and formula VII. The intermediates can be applied to synthesis of a known key intermediate TEPAD of Kengreal, and the method has advantages of high total molar yield, simple operation without special requirements for equipment, safety without pollution, low cost, and the like; the method has extremely high practical value for industrialization of Kengreal, and compared with the prior art, the method has significant progress.

6 - N - (2 - (methylthio) ethyl) - 2 - ((3, 3, 3 - three fluorine propyl) thio) - 9H - purine and its preparation method and application

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Paragraph 0138; 0139; 0140; 0141, (2017/08/25)

The invention relates to a novel compound 6-N-(2-(methylthio)ethyl)-2-((3,3,3-trifluoropropyl)sulfo)-9H-purine and a preparation method for the novel compound and further provides application of the novel compound as an intermediate in synthesis of cangrelor directed at the limitation of conventional synthetic methods for cangrelor. The compound is used as the intermediate for synthesis of cangrelor; and such a route has the advantages of wide sources of raw materials, mild reaction conditions, simple after-treatment, environment friendliness and improved product yield and provides a novel synthetic method for laboratory and industrialization production of cangrelor.

Synthesis method of cangrelor intermediate

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Paragraph 0079-0081, (2017/01/12)

Belonging to the field of chemical synthesis of drugs, the invention in particular relates to a synthesis method of a compound cangrelor intermediate shown as formula (6). The invention provides a new synthesis method of the cangrelor intermediate (compound 6). The method includes: taking thioadenosine as the raw material, firstly carrying out reaction with a diazotization reagent and a halogenated reagent, then carrying out reaction with 2-(methylthio)ethylamine, and finally conducting hydrolysis to obtain a compound 6. The method has the advantages of cheap raw materials, efficient reaction, safety and easy operation, and is conducive to industrial production. (formula 6).

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