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2’-β-C-Methyl-3-deazauri dine

CAT: 0804-HY-152738Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-152738Size:1 Each
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Description
2’-β-C-Methyl-3-deazauri dine is a purine nucleoside analogue. 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
622379-93-5
UNSPSC
12352005
Target
Nucleoside Antimetabolite/Analog
Type
Oligonucleotides
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-β-c-methyl-3-deazauri-dine.html
Solubility
10 mM in DMSO
Smiles
OC[C@@H]1[C@@H](O)[C@](O)(C)[C@H](N2C(C=C(O)C=C2)=O)O1
Molecular Formula
C11H15NO6
Molecular Weight
257.24
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

1-((2R,3R,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-3-methyltetrahydrofuran-2-yl)-4-hydroxypyridin-2(1H)-one
CAS Number622379-93-5
PubChem CID122129480
IUPAC Name1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-hydroxypyridin-2-one
Molecular FormulaC11H15NO6
Molecular Weight257.24
XLogP-1.6
Topological Polar Surface Area110
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity420
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=CC2=O)O)CO)O)O
InChI
InChI=1S/C11H15NO6/c1-11(17)9(16)7(5-13)18-10(11)12-3-2-6(14)4-8(12)15/h2-4,7,9-10,13-14,16-17H,5H2,1H3/t7-,9-,10-,11-/m1/s1
InChIKey
WAHZSHBKEKNCHG-QCNRFFRDSA-N
Chemical Structure
2D Structure
2D structure of 1-((2R,3R,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-3-methyltetrahydrofuran-2-yl)-4-hydroxypyridin-2(1H)-one
CAS: 622379-93-5
CID: 122129480
Formula: C11H15NO6
MW: 257.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.24
XLogP3-1.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass257.08993720
Monoisotopic Mass257.08993720
Topological Polar Surface Area110 Ų
Heavy Atom Count18
Formal Charge0
Complexity420
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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