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2-Chloro-N6-methyladenosine

CAT: 0931-TNU0507-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0507-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13406-50-3
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/Checkpoint, Others, DNA Damage/DNA Repair
Bioactivity
Nucleoside Derivatives –Halo-nucleosides;6-Modified purine nucleosides
Smiles
O[C@H]1[C@H](N2C=3C(N=C2)=C(NC)N=C(Cl)N3)O[C@H](CO)[C@H]1O
Molecular Formula
C11H14ClN5O4
Molecular Weight
315.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(4S,2R,3R,5R)-2-[2-chloro-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CAS Number13406-50-3
PubChem CID11243974
IUPAC Name(2R,3R,4S,5R)-2-[2-chloro-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC11H14ClN5O4
Molecular Weight315.71
XLogP0.6
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity381
SMILES
CNC1=C2C(=NC(=N1)Cl)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H14ClN5O4/c1-13-8-5-9(16-11(12)15-8)17(3-14-5)10-7(20)6(19)4(2-18)21-10/h3-4,6-7,10,18-20H,2H2,1H3,(H,13,15,16)/t4-,6-,7-,10-/m1/s1
InChIKey
GZBRVFFTXXCAHH-KQYNXXCUSA-N
Chemical Structure
2D Structure
2D structure of (4S,2R,3R,5R)-2-[2-chloro-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CAS: 13406-50-3
CID: 11243974
Formula: C11H14ClN5O4
MW: 315.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.71
XLogP30.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass315.0734316
Monoisotopic Mass315.0734316
Topological Polar Surface Area126 Ų
Heavy Atom Count21
Formal Charge0
Complexity381
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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TNU0459-01N6-Benzyl-2'-C-methyladenosine
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Alternative Products

CatalogName
MBS58261032-Chloro-N6-methyladenosine
B2715-50N6-Methyladenosine
NM159489-012-Methylthio-N6-methyladenosine
ND06386-012'-Deoxy-N6-methyladenosine
GN1250-25mg2''-Deoxy-N6-methyladenosine
MBS58259232-Methylamino-N6-methyladenosine
GTR19215191-01N6, N6-Dimethyl-2'-C-methyladenosine
GTR19215154-01N6, N6-Dimethyl-2'-O-methyladenosine
HY-152365N6, N6-Dimethyl-2’-β-C-methyladenosine
MBS5825949N6,N6-Dimethyl-2'-O-methyladenosine

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