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ChemicalBook >> CAS DataBase List >>(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

(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 Structure
(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 structure
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
Molecular Weight:
469.5
MDL Number:
MFCD15832982
MOL File:
163706-58-9.mol
MSDS File:
SDS
Last updated:2025-07-24 18:13:40
Product description Number Pack Size Price
N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine 8691CR 100mg $78
Cangrelor Intermediate 168045 1g $296
N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine 8691CR 1g $132
Cangrelor Intermediate 168045 5g $1055
Cangrelor Intermediate 168045 100g $7384
More product size
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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 Properties

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
FDA UNII 39WQB3ZG8Z

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

(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 price

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
AK Scientific 8691CR N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine 163706-58-9 100mg $78 2021-12-16 Buy
Matrix Scientific 168045 Cangrelor Intermediate 163706-58-9 1g $296 2021-12-16 Buy
AK Scientific 8691CR N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine 163706-58-9 1g $132 2021-12-16 Buy
Matrix Scientific 168045 Cangrelor Intermediate 163706-58-9 5g $1055 2021-12-16 Buy
Matrix Scientific 168045 Cangrelor Intermediate 163706-58-9 100g $7384 2021-12-16 Buy
Product number Packaging Price Buy
8691CR 100mg $78 Buy
168045 1g $296 Buy
8691CR 1g $132 Buy
168045 5g $1055 Buy
168045 100g $7384 Buy

(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,Uses,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

(2R,3R,4R)-2-(acetoxyMethyl)-5-(6-(N-(2-(Methylthio)ethyl)acetaMido)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate

163706-57-8

(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

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

(2R,3R,4R)-2-(acetoxyMethyl)-5-(6-(N-(2-(Methylthio)ethyl)acetaMido)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate Potassium carbonate Isopropyl alcohol

Preparation Products

Cangrelor Impurity 2

(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

Global( 105)Suppliers
Supplier Tel Email Country ProdList Advantage
Hangzhou ICH Biofarm Co., Ltd 		+86-0571-28186870; +undefined8613073685410 sales@ichemie.com China 1014 58
Henan Tianfu Chemical Co.,Ltd. 		+86-0371-55170693 +86-19937530512 info@tianfuchem.com China 21612 55
ATK CHEMICAL COMPANY LIMITED 		+undefined-21-51877795 ivan@atkchemical.com China 33024 60
Lianyungang happen teng technology co., LTD 		15950718863 wang666xt@163.com CHINA 295 58
career henan chemical co 		+86-0371-86658258 +8613203830695 sales@coreychem.com China 29846 58
Shenzhen Nexconn Pharmatechs Ltd 		+86-755-89396905 +86-15013857715 admin@nexconn.com China 10405 58
Jinan Shengqi pharmaceutical Co,Ltd 		86+18663751872 christine@shengqipharm.com CHINA 491 58
BOC Sciences 		+1-631-485-4226 inquiry@bocsci.com United States 19552 58
Alchem Pharmtech,Inc. 		8485655694 sales@alchempharmtech.com United States 63687 58
Shenzhen Excellent Biotech Co., Ltd. 		13480692018 ramyan@ex-biotech.com CHINA 954 58
Supplier Advantage
Hangzhou ICH Biofarm Co., Ltd 		58
Henan Tianfu Chemical Co.,Ltd. 		55
ATK CHEMICAL COMPANY LIMITED 		60
Lianyungang happen teng technology co., LTD 		58
career henan chemical co 		58
Shenzhen Nexconn Pharmatechs Ltd 		58
Jinan Shengqi pharmaceutical Co,Ltd 		58
BOC Sciences 		58
Alchem Pharmtech,Inc. 		58
Shenzhen Excellent Biotech Co., Ltd. 		58

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

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
(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 pictures 2025-07-08 (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
 US $0.00-0.00 / kg 1kg 99% 500KG Hangzhou ICH Biofarm Co., Ltd
(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 pictures 2019-07-06 (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
 US $1.00 / kg 1kg 95%-99% 100kg Career Henan Chemical Co
(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)​ -adenosine thio]​ trifluoropropyl)​ (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