N6-(2-Methylthioethyl)-2-(3,3,3-trifluoroprop… 163706-58-9

Name: N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine
Brand: Vaqora Chemicals
SKU: VQ-024750

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

Listed under CAS 163706-58-9, N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine is an impurity of Cangrelor available from Vaqora Chemicals. With the molecular formula C16H22F3N5O4S2, it has a molar mass of 469.5 g/mol. Common synonyms include AR-C69712XX and Cangrelor Intermediate.

It is supplied as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. The GHS classification uses the signal word “Warning”, so appropriate gloves, eye protection and ventilation are recommended.

This Cangrelor impurity supports analytical method development and validation (AMV), batch release testing and the impurity sections of ANDA and DMF filings. It is used across pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Cangrelor

View every impurity, metabolite and intermediate we list for Cangrelor.

Cangrelor impurities

Specifications & identifiers

Chemical identifiers
Product name	N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine
Catalogue No.	VQ-024750
CAS Number	163706-58-9
IUPAC name	(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolane-3,4-diol
Molecular formula	C₁₆H₂₂F₃N₅O₄S₂
Molecular weight	469.5 g/mol
Exact mass	469.1065
Grade	Reference Standard
HSN code	38229090
InChIKey	ZGVUPMJCZYBIDI-IDTAVKCVSA-N
SMILES	CSCCNC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
PubChem CID	10600409

Physical properties
Physical form	Solid
LogP (XLogP3)	2.6
H-bond donors / acceptors	4 / 13
TPSA	176 Å²
Synonyms	N-[2-(Methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-adenosine (9CI), AR-C69712XX, Adenosine, N-(2-(methylthio)ethyl)-2-((3,3,3-trifluoropropyl)thio)-, Cangrelor Intermediate, Adenosine, N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]- (9CI), N-[2-(Methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]adenosine

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H315Causes skin irritation

Precautionary statements: P264, P280, P302 + P352, P321, P332 + P317, P362 + P364

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine?

The CAS Registry Number of N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine is 163706-58-9. It is also known as N-[2-(Methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-adenosine (9CI), AR-C69712XX, Adenosine, N-(2-(methylthio)ethyl)-2-((3,3,3-trifluoropropyl)thio)-.

What is the molecular formula and molecular weight of N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine?

N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine has the molecular formula C16H22F3N5O4S2 and a molecular weight of 469.5 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolane-3,4-diol.

What is N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine used for?

N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine is supplied as a characterised reference material related to Cangrelor. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine can I order?

We supply N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine?

Yes. Every lot of N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine be shipped internationally?

Yes. N6-(2-Methylthioethyl)-2-(3,3,3-trifluoropropylthio)adenosine is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.