(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

Product Name: (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
CAS No.: 163706-58-9
Chemical Name: (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
Synonyms: -adenosine;thio]cangrelor N-3;Cangrelor inter;(Methylthio)Cangrelor Metabolite;Cangrelor Intermediate;trifluoropropyl)Cangrelor Intermediates;Cangrelor tetrasodium impurity C-3
CBNumber: CB32669945
Molecular Formula: C16H22F3N5O4S2
Formula Weight: 469.5
MOL File: 163706-58-9.mol

More

Less

(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 Property

Melting point:: 179-181°C
Boiling point:: 747.5±70.0 °C(Predicted)
Density: 1.70±0.1 g/cm3(Predicted)
storage temp.: 2-8°C(protect from light)
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 13.08±0.70(Predicted)
color: White to Light Yellow
InChIKey: ZGVUPMJCZYBIDI-IDTAVKCVSA-N
SMILES: OC[C@H]1O[C@@H](N2C3C(=C(N=C(SCCC(F)(F)F)N=3)NCCSC)N=C2)[C@H](O)[C@@H]1O

More

Less

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

More

Less

N-Bromosuccinimide Price

AK Scientific

Product number: 8691CR
Product name: N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine
Packaging: 100mg
Price: $78
Updated: 2021/12/16

Matrix Scientific

Product number: 168045
Product name: Cangrelor Intermediate
Packaging: 1g
Price: $296
Updated: 2021/12/16

AK Scientific

Product number: 8691CR
Product name: N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine
Packaging: 1g
Price: $132
Updated: 2021/12/16

Matrix Scientific

Product number: 168045
Product name: Cangrelor Intermediate
Packaging: 5g
Price: $1055
Updated: 2021/12/16

Matrix Scientific

Product number: 168045
Product name: Cangrelor Intermediate
Packaging: 100g
Price: $7384
Updated: 2021/12/16

More

Less

(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 Chemical Properties,Usage,Production

Uses

N-?[2-?(Methylthio)?ethyl]?-?2-?[(3,?3,?3-?trifluoropropyl)?thio]?-adenosine is used for developing platelet P2T receptor antagonists, which have potential applications for antithrombotic therapy.

Synthesis

163706-57-8

163706-58-9

The general procedure for the synthesis 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, using the compound (CAS:163706-57-8) as a raw material, is as follows: the crude obtained in Example 38 was reacted with the crude product (60.3 g) was co-dissolved with potassium carbonate (199 g, 1.44 mol) in 600 mL of isopropanol, heated to reflux and the reaction was maintained for 2 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure to give a concentrate. To the concentrate, 300 mL of water was added and the pH was adjusted to about 7 using acetic acid with continuous stirring for 0.5 hours. Subsequently, the reaction mixture was filtered and the solid product was collected and dried to give a final 33.8 g of pale yellow solid product. The overall yield of this three-step synthetic process was 75% (based on the compound of formula (10)) and the product purity was 97.9% as analyzed by high performance liquid chromatography (HPLC).

References

[1] Patent: CN107973798, 2018, A. Location in patent: Paragraph 0259; 0264; 0265-0267; 0270; 0273
[2] Journal of Medicinal Chemistry, 1999, vol. 42, # 2, p. 213 - 220
[3] Patent: CN107973832, 2018, A. Location in patent: Paragraph 0028; 0253-0270

(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 Preparation Products And Raw materials

Raw materials

Preparation Products

More

Less

(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 Suppliers

China 96 India 3 United States 7 Global 106

Jiangsu Vcare PharmaTech Co., Ltd.

Tel: 025-58741518 13327700685
Fax: +86-25-58744115
Email: sales@vcarepharmatech.com
Country: China
ProdList: 308
Advantage: 61

SHANGHAI YINGRUI CHEMICAL TECHNOLOGY CO.,LTD.

Tel: 21-33585366 13311639313
Fax: +86-21-34979012
Email: sales@shyrchem.com
Country: China
ProdList: 806
Advantage: 55

Nanjing Baifuli Technology Co., Ltd.

Tel: 25-25-58740604 15951658055
Fax: +86-25-58356858
Email: sales@unisyn.cn
Country: China
ProdList: 591
Advantage: 58

UHN Shanghai Research & Development Co., Ltd.

Tel: 021-58958002 18930822973
Fax: +86 (21) 5895-8628
Email: sales@uhnshanghai.com
Country: China
ProdList: 998
Advantage: 58

ChemStrong Scientific Co.,Ltd

Tel: 0755-0755-66853366 13670046396
Fax: 0755-28363542
Email: sales@chem-strong.com
Country: China
ProdList: 18333
Advantage: 56

Finetech Industry Limited

Tel: 027-87465837 19945049750
Fax: 027-8777-2287
Email: sales@finetechnology-ind.com
Country: China
ProdList: 9637
Advantage: 58

LUCKY PHARMA CO., LIMITED

Tel: 0571-86403260 86403970
Fax: 0571-86403970
Email: lucky@lkbiology.com
Country: China
ProdList: 243
Advantage: 58

Shanghai Peiyang Chemical Co., Ltd.

Tel: +86 (21) 61919736
Fax: +86 (21) 61919739
Country: China
ProdList: 239
Advantage: 55

Intelligence Pharm Science(Shanghai) Co., Ltd.

Tel: 021-57898186
Fax: 021-37699262
Country: China
ProdList: 449
Advantage: 55

Shanghai Synchem Pharma Co., ltd

Tel: 21-619849051-1 18521059765
Email: synchempharma@aliyun.com
Country: China
ProdList: 6468
Advantage: 55

More

Less

View Lastest Price from (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 manufacturers

Hangzhou ICH Biofarm Co., Ltd

Product: (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 163706-58-9
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 500KG
Release date: 2023-07-06

Career Henan Chemical Co

Product: (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 163706-58-9
Price: US $1.00/kg
Min. Order: 1kg
Purity: 95%-99%
Supply Ability: 100kg
Release date: 2018-12-20

163706-58-9, (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-diolRelated Search:

(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

(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 N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine

((3aR,4R,6R,6aR)-6-(6-amino-2-((3,3,3-trifluoropropyl)thio)-9H- purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol

N-[2-(Methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]adenosine

Adenosine, N-[2-(Methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]- (9CI)

N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine

Cangrelor Intermediate

(2R,3S,4R,5R)-2-(hydroxyMethyl)-5-(6-((2-(Methylthio)ethyl)aMino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)

Cangrelor Intermediates

(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 Cangrelor Intermediate

Cangrelor inter

Cangrelor Metabolite (Cangrelor Impurity 3)

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((2-(methylthio)ethyl)a...

Cangrelor Metabolite

cangrelor N-3

N-[2-(Methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-adenosine (9CI)

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((2-(methylthio)ethyl)

(Methylthio)&#8203

-adenosine

thio]&#8203

trifluoropropyl)&#8203

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((2-(methylthio)ethyl)amino)-2-((3,3,3-trifluoropropyl)thio)-9H

N6-(2-methylthioethyl)-2-(3,3,3-trifluoropropylth...

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

Cangrelor tetrasodium impurity C-3

Adenosine,N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-

163706-58-9

C16H22F3N5O4S2