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Basic information
- CAS
4105-39-9- Standard SMILES
CSc1nc(N)c2ncn(C3OC(CO)C(O)C3O)c2n1- InChIKey
AJNDEAZTAFKOOO-UHFFFAOYSA-N- Molecular formula
- C11H15N5O4S
- Average molar mass
- 313.339 g/mol
- Monoisotopic mass
- 313.08447496
Names & identifiers
- Preferred name
- 2-(Methylsulfanyl)-9-pentofuranosyl-9H-purin-6-amine
- IUPAC
- 2-(Methylsulfanyl)-9-pentofuranosyl-9H-purin-6-amine
- English name
- 2-methylthioadenosine
- Molecular formula
- C11H15N5O4S
- Molecular weight
- 313.33
Names & synonyms
Zeatin ImpurityZeatin Impurity 1platelet ADP receptorAdenosine, 2-(methylthio)-2-Methylthioadenosine ( 2-MeS-Ado )2-[6-AMINO-2-(METHYLSULFANYL)PURIN-9-YL]-5-(HYDROXYMETHYL)OXOLANE-3,4-DIOL2-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
Database identifiers
- CAS
4105-39-9- PubChem CID
- 235484
- DTXSID
DTXSID50961410
Properties
Physicochemical properties
- Melting point
- 225 °C · 225 °C
- Boiling point
- 747.6 · 747.6±70.0 °C(Predicted)
- Density
- 1.98 · 1.98±0.1 g/cm3(Predicted)
- pka
- 13.08 · 13.08±0.70(Predicted)
- form
- Solid
- color
- White to off-white
- 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
Chemistry & industry
Applications
Uses2-Methylthioadenosine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
Suppliers28 total
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
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攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [email protected]
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河南誉康卓宁进出口有限公司13393721940 · [email protected]
Related reactions
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Compound notes
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