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N1-Cyclopropylmethylpseudouridine

CAT: 0804-HY-152649Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-152649Size:1 Each
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Description
N1-Cyclopropylmethylpseudouridine 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
1613530-18-9
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-cyclopropylmethylpseudouridine.html
Solubility
10 mM in DMSO
Smiles
OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](C(C(N2)=O)=CN(CC3CC3)C2=O)O1
Molecular Formula
C13H18N2O6
Molecular Weight
298.29
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

CID 90220579
CAS Number1613530-18-9
PubChem CID90220579
IUPAC Name1-(cyclopropylmethyl)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Molecular FormulaC13H18N2O6
Molecular Weight298.29
XLogP-1.9
Topological Polar Surface Area119
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity489
SMILES
C1CC1CN2C=C(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C13H18N2O6/c16-5-8-9(17)10(18)11(21-8)7-4-15(3-6-1-2-6)13(20)14-12(7)19/h4,6,8-11,16-18H,1-3,5H2,(H,14,19,20)/t8-,9-,10-,11+/m1/s1
InChIKey
GMXIJIMESYOESF-DBIOUOCHSA-N
Chemical Structure
2D Structure
2D structure of CID 90220579
CAS: 1613530-18-9
CID: 90220579
Formula: C13H18N2O6
MW: 298.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.29
XLogP3-1.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass298.11648630
Monoisotopic Mass298.11648630
Topological Polar Surface Area119 Ų
Heavy Atom Count21
Formal Charge0
Complexity489
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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