ChemicalBook--->CAS DataBase List--->4105-39-9

4105-39-9

4105-39-9 Structure

4105-39-9 Structure
IdentificationBack Directory
[Name]

2-methylthioadenosine
[CAS]

4105-39-9
[Synonyms]

Zeatin Impurity
Zeatin Impurity 1
Adenosine, 2-(methylthio)-
2-Methylthioadenosine ( 2-MeS-Ado )
2-[6-AMINO-2-(METHYLSULFANYL)PURIN-9-YL]-5-(HYDROXYMETHYL)OXOLANE-3,4-DIOL
2-Methylthioadenosine ADA inhibitor,platelet ADP receptor (made from GL101374)
(2R,3R,4S,5R)-2-(6-Amino-2-(methylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
[Molecular Formula]

C11H15N5O4S
[MDL Number]

MFCD07368402
[MOL File]

4105-39-9.mol
[Molecular Weight]

313.33
Chemical PropertiesBack Directory
[Melting point ]

225 °C
[Boiling point ]

747.6±70.0 °C(Predicted)
[density ]

1.98±0.1 g/cm3(Predicted)
[pka]

13.08±0.70(Predicted)
[InChI]

InChI=1S/C11H15N5O4S/c1-21-11-14-8(12)5-9(15-11)16(3-13-5)10-7(19)6(18)4(2-17)20-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-/m1/s1
[InChIKey]

AJNDEAZTAFKOOO-KQYNXXCUSA-N
[SMILES]

OC[C@H]1O[C@@H](N2C3C(=C(N=C(SC)N=3)N)N=C2)[C@H](O)[C@@H]1O
Hazard InformationBack Directory
[Chemical Properties]

White to Off-white Crystalline Powder
[Definition]

2-Methylthioadenosine is an adenosine precursor to 2-MeS-ATP, 2-MeS-ADP and 2-MeS-AMP.
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