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N6-Methyl-2-methylthioadenosine

CAT: 0931-TNU0160Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0160Size:1 mg
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CAS Number
13406-51-4
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
DNA Damage/DNA Repair, Others, Cell Cycle/Checkpoint
Bioactivity
N6-Methyl-2-methylthioadenosine is a thiomethylated protected nucleotide that can be used in the synthesis of nucleoside derivatives.
Smiles
O[C@H]1[C@H](N2C=3C(N=C2)=C(NC)N=C(SC)N3)O[C@H](CO)[C@H]1O
Molecular Formula
C12H17N5O4S
Molecular Weight
327.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N6-Methyl-2-methylthioadenosine
CAS Number13406-51-4
PubChem CID67228673
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol
Molecular FormulaC12H17N5O4S
Molecular Weight327.36
XLogP0.5
Topological Polar Surface Area151
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity395
SMILES
CNC1=C2C(=NC(=N1)SC)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C12H17N5O4S/c1-13-9-6-10(16-12(15-9)22-2)17(4-14-6)11-8(20)7(19)5(3-18)21-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,13,15,16)/t5-,7-,8-,11-/m1/s1
InChIKey
PHFMCMDFWSZKGD-IOSLPCCCSA-N
Chemical Structure
2D Structure
2D structure of N6-Methyl-2-methylthioadenosine
CAS: 13406-51-4
CID: 67228673
Formula: C12H17N5O4S
MW: 327.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.36
XLogP30.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass327.10012521
Monoisotopic Mass327.10012521
Topological Polar Surface Area151 Ų
Heavy Atom Count22
Formal Charge0
Complexity395
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BUP23156N6-Methyl-2-methylthioadenosine
HY-152650N6-Methyl-2-methyl thioadenosine
sc-222031N6-Methyl-2'-deoxyadenosine
TRC-M696255-1MGN6-Methyl-N6-threonylcarbamoyladenosine
TRC-D891035-100MGN6-[(2,5-Dimethoxyphenyl)methyl]-N6-methyl-2,4,6-quinazolinetriamine
B8072-.012'-O-Methyl-N6-Methyl-ATP
HY-131795-012-Methylthioadenosine
MBS58257112'-b-C-Methyl-2-amino-N6,N6-dimethyladenosine
GTR19215403-012'-b-C-Methyl-2-amino-N6, N6-dimethyladenosine
CS-O-55037N6-methyl-N6-nitroso-Adenosine

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