2-[(3,3,3-Trifluoropropyl)sulfanyl]adenosine

Basic Information

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CAS Number

163706-51-2

Molecular Formula

C13H16F3N5O4S

Molecular Weight

395.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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FC(F)(F)CCSc1nc(c2ncn(c2n1)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CO)N

InChI

InChI=1S/C13H16F3N5O4S/c14-13(15,16)1-2-26-12-19-9(17)6-10(20-12)21(4-18-6)11-8(24)7(23)5(3-22)25-11/h4-5,7-8,11,22-24H,1-3H2,(H2,17,19,20)/t5-,7-,8-,11-/m1/s1

InChIKey

YXQSQDQDYVOJLV-IOSLPCCCSA-N

LogP

0.06449999999999961

Topological Polar Surface Area

139.54000000000002 Å²

Hydrogen Bond Donor/Acceptor

5 / 9

Complexity

493

Synonyms & References

English

2-(3,3,3-Trifluoropropylthio)adenosine
Cangrelor Impurity 5
Adenosine,2-[(3,3,3-trifluoropropyl)thio]-
(2R,3R,4S,5R)-2-(6-aMino-2-(3,3,3-trifluoropropylthio)-9H-purin-9-yl)-5-(hydroxyMethyl)tetrahydrofuran-3,4-diol
(2R,3R,4S,5R)-2-(6-aMino-2-(3,3,3-trifluoropropylthio)-9H- purin-9-yl)-5-(hydroxyMethyl)tetrahydrofuran-3,4-diol 2-(3,3,3-trifluoropropylthio)adenosine
(2R,3R,4S,5R)-2-(6-amino-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
2-[(3,3,3-Trifluoropropyl)thio]adenosine
adenosine, 2-[(3,3,3-trifluoropropyl)thio]-
(2R,3R,4S,5R)-2-[6-Amino-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-d
2-(3,3,3-trifluoropropylthio)adenosine
2-(3,3,3-Trifluoropropyl)thioadenosine

MDL Number

MFCD15832979

FAQ

What is 2-[(3,3,3-Trifluoropropyl)sulfanyl]adenosine (CAS: 163706-51-2)?

2-[(3,3,3-Trifluoropropyl)sulfanyl]adenosine is a derivative of adenosine with a trifluoropropyl sulfanyl group attached to the 2-position. It is a colorless or white crystalline solid with a molecular weight of approximately 315.38 g/mol.

What are the main uses of 2-[(3,3,3-Trifluoropropyl)sulfanyl]adenosine (CAS: 163706-51-2)?

2-[(3,3,3-Trifluoropropyl)sulfanyl]adenosine is primarily used as a research tool in pharmacology and biochemistry. It can be used to study adenosine receptor agonist properties and as a potential therapeutic agent in various diseases.

Is 2-[(3,3,3-Trifluoropropyl)sulfanyl]adenosine (CAS: 163706-51-2) safe?

2-[(3,3,3-Trifluoropropyl)sulfanyl]adenosine is generally considered safe for laboratory use when proper precautions are followed. It should be handled in a well-ventilated area, with appropriate personal protective equipment (PPE) such as gloves and goggles. Avoid contact with skin and eyes.

How should 2-[(3,3,3-Trifluoropropyl)sulfanyl]adenosine (CAS: 163706-51-2) be stored?

2-[(3,3,3-Trifluoropropyl)sulfanyl]adenosine should be stored in a cool, dry place, protected from light and moisture. Store it in a tightly sealed container at room temperature (15-25°C) to maintain its stability.