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N1-Benzyl pseudouridine

CAT: 0804-HY-152725Size: 1 EachDry Ice: NoHazardous: No
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Description
N1-Benzyl pseudouridine 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
1613530-22-5
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/n1-benzyl-pseudouridine.html
Solubility
10 mM in DMSO
Smiles
O[C@H]1[C@@H](O)[C@H](C2=CN(CC3=CC=CC=C3)C(NC2=O)=O)O[C@@H]1CO
Molecular Formula
C16H18N2O6
Molecular Weight
334.32
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

N1-Benzyl pseudouridine
CAS Number1613530-22-5
PubChem CID90220769
IUPAC Name1-benzyl-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Molecular FormulaC16H18N2O6
Molecular Weight334.32
XLogP-1.1
Topological Polar Surface Area119
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity531
SMILES
C1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C16H18N2O6/c19-8-11-12(20)13(21)14(24-11)10-7-18(16(23)17-15(10)22)6-9-4-2-1-3-5-9/h1-5,7,11-14,19-21H,6,8H2,(H,17,22,23)/t11-,12-,13-,14+/m1/s1
InChIKey
UDWJDHVNBZRPBP-SYQHCUMBSA-N
Chemical Structure
2D Structure
2D structure of N1-Benzyl pseudouridine
CAS: 1613530-22-5
CID: 90220769
Formula: C16H18N2O6
MW: 334.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.32
XLogP3-1.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass334.11648630
Monoisotopic Mass334.11648630
Topological Polar Surface Area119 Ų
Heavy Atom Count24
Formal Charge0
Complexity531
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
TNU0117-01N1-Benzyl pseudouridine
T75038-01N1-Benzoyl pseudouridine
T75034-01N1-Methylsulfonyl pseudouridine
TNU0311-01N1-Ethoxymethyl pseudouridine
MBS5825905N1-Methoxymethyl pseudouridine
TNU0356-01N1-Cyanomethyl pseudouridine
MBS5826786N1-Methyl-d3-pseudouridine
MBS5825963N1-(N,N-Dimethylaminocarbonyl)-pseudouridine
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