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3’-Deoxy-N1-methyladenosine

CAT: 0804-HY-152588Size: 1 EachDry Ice: NoHazardous: No
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Description
3’-Deoxy-N1-methyladenosine 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].
CAS Number
77667-51-7
UNSPSC
12352005
Target
Nucleoside Antimetabolite/Analog
Type
Oligonucleotides
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/3-deoxy-n1-methyladenosine.html
Solubility
10 mM in DMSO
Smiles
O[C@@H]1C[C@@H](CO)O[C@H]1N(C=N2)C3=C2C(N(C)C=N3)=N
Molecular Formula
C11H15N5O3
Molecular Weight
265.27
References & Citations
[1]Robak T, Robak P. Purine nucleoside analogs in the treatment of rarer chronic lymphoid leukemias. Curr Pharm Des. 2012;18 (23) :3373-88.
Shipping Conditions
Room temperature
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

3'-Deoxy-N1-methyladenosine
CAS Number77667-51-7
PubChem CID175676379
IUPAC Name(2R,3R,5S)-5-(hydroxymethyl)-2-(6-imino-1-methyl-2,3-dihydropurin-9-yl)oxolan-3-ol
Molecular FormulaC11H17N5O3
Molecular Weight267.28
XLogP-1.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity368
SMILES
CN1CNC2=C(C1=N)N=CN2[C@H]3[C@@H](C[C@H](O3)CO)O
InChI
InChI=1S/C11H17N5O3/c1-15-4-14-10-8(9(15)12)13-5-16(10)11-7(18)2-6(3-17)19-11/h5-7,11-12,14,17-18H,2-4H2,1H3/t6-,7+,11+/m0/s1
InChIKey
CKCDYDJCUJJSSX-MVKOHCKWSA-N
Chemical Structure
2D Structure
2D structure of 3'-Deoxy-N1-methyladenosine
CAS: 77667-51-7
CID: 175676379
Formula: C11H17N5O3
MW: 267.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.28
XLogP3-1.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass267.13313942
Monoisotopic Mass267.13313942
Topological Polar Surface Area107 Ų
Heavy Atom Count19
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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