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2-Thiopseudouridine

CAT: 0804-HY-154732Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-154732Size:1 Each
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Description
2-Thiopseudouridine 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
59464-18-5
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/2-thiopseudouridine.html
Solubility
10 mM in DMSO
Smiles
O[C@H]1[C@@H](O)[C@H](C(C(N2)=O)=CNC2=S)O[C@@H]1CO
Molecular Formula
C9H12N2O5S
Molecular Weight
260.27
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

2-Thiopseudouridine
CAS Number59464-18-5
PubChem CID3037667
IUPAC Name5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidene-1H-pyrimidin-4-one
Molecular FormulaC9H12N2O5S
Molecular Weight260.27
XLogP-2.2
Topological Polar Surface Area143
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity386
SMILES
C1=C(C(=O)NC(=S)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C9H12N2O5S/c12-2-4-5(13)6(14)7(16-4)3-1-10-9(17)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,17)/t4-,5-,6-,7+/m1/s1
InChIKey
DDHOXEOVAJVODV-GBNDHIKLSA-N
Chemical Structure
2D Structure
2D structure of 2-Thiopseudouridine
CAS: 59464-18-5
CID: 3037667
Formula: C9H12N2O5S
MW: 260.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.27
XLogP3-2.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass260.04669266
Monoisotopic Mass260.04669266
Topological Polar Surface Area143 Ų
Heavy Atom Count17
Formal Charge0
Complexity386
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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