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5’-Deoxy-5’- (4-morpholinyl) thymidine

CAT: 0804-HY-154568Size: 1 EachDry Ice: NoHazardous: No
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Description
5’-Deoxy-5’- (4-morpholinyl) thymidine 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
2305415-93-2
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/5-deoxy-5-4-morpholinyl-thymidine.html
Solubility
10 mM in DMSO
Smiles
O=C(NC(C(C)=C1)=O)N1[C@@H]2O[C@H](CN3CCOCC3)[C@@H](O)C2
Molecular Formula
C14H21N3O5
Molecular Weight
311.33
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

5'-Deoxy-5'-(4-morpholinyl)thymidine
CAS Number2305415-93-2
PubChem CID168447938
IUPAC Name1-[(2R,4S,5R)-4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular FormulaC14H21N3O5
Molecular Weight311.33
XLogP-1.4
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity489
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN3CCOCC3)O
InChI
InChI=1S/C14H21N3O5/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(22-12)8-16-2-4-21-5-3-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m0/s1
InChIKey
VRKKFNNSVKYYIE-QJPTWQEYSA-N
Chemical Structure
2D Structure
2D structure of 5'-Deoxy-5'-(4-morpholinyl)thymidine
CAS: 2305415-93-2
CID: 168447938
Formula: C14H21N3O5
MW: 311.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.33
XLogP3-1.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass311.14812078
Monoisotopic Mass311.14812078
Topological Polar Surface Area91.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity489
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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CatalogName
GTR19214130-015'-Deoxy-5'- (4-morpholinyl) thymidine
MBS58269975'-Deoxy-5'-(4-morpholinyl)thymidine
sc-2166183'-Deoxy-3'-fluoro-5'-O- (4,4'-dimethoxytrityl) thymidine
0080923’-Deoxy-3’-fluoro-5’-O- (4,4’-dimethoxytrityl) thymidine
MBS6023810-013'-Deoxy-3'-fluoro-5'-O-(4,4'-dimethoxytrityl)thymidine
OR9495-015-O- (4,4-Dimethoxytrityl) thymidine
D3691-885’-O- (4,4’-Dimethoxytrityl) -thymidine
TRC-D460775-1G5’-O-(4,4’-Dimethoxytrityl)thymidine
MBS6103546-015'-O-(4,4'-Dimethoxytrityl)-thymidine
sc-2210615'-O- (4,4'-Dimethoxytrityl) thymidine

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