Basic information
- CAS
15397-13-4- Standard SMILES
CC1(O)C(CO)OC(n2cnc3c(N)ncnc32)C1O- InChIKey
MLIWWOXSMXQECL-UHFFFAOYSA-N- Molecular formula
- C11H15N5O4
- Average molar mass
- 281.27 g/mol
- Monoisotopic mass
- 281.11240398
Names & identifiers
- Preferred name
- 5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)-3-methyloxolane-3,4-diol
- IUPAC
- 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-methyloxolane-3,4-diol
- English name
- 3'-beta-C-Methyladenosine
- Molecular formula
- C11H15N5O4
- Molecular weight
- 281.27
Names & synonyms
5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)-3-methyloxolane-3,4-diolNSC6229535-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-methyloxolane-3,4-diolDTXSID90326943NSC750214NSC-622953NSC-7502149-(3-C-Methylpentofuranosyl)-9H-purin-6-amine3'-C-Methyl-beta-D-ribofuranosyladenine (3'-C-methyladenosine)3-C-Me-Adenosine3'-C-Methyladenosine3'-?C-?Methyladenosine
Show more names
3'-b-C-Methyladenosine3’-β-C-MethyladenosineAdenosine, 3'-C-methyl-3’-beta-C-Methyladenosine3'-beta-C-Methyladenosine3'-beta-C-Methyladenosine Antitumor agent
Database identifiers
- CAS
15397-13-4- PubChem CID
- 360646
- DTXSID
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 643.4 · 643.4±65.0 °C(Predicted)
- Density
- 1.89 · 1.89±0.1 g/cm3(Predicted)
- pka
- 13.14 · 13.14±0.70(Predicted)
Chemistry & industry
Applications
Uses3′-β-C-Methyladenosine is an adenosine analogue. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. The popular products in this series are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].
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Related reactions
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Compound notes
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