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5-Ethyl cytidine

CAT: 0804-HY-W555551Size: 1 EachDry Ice: NoHazardous: No
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Description
5-Ethyl cytidine is a cytidine analog. Cytidine analogs have a mechanism of inhibiting DNA methyltransferases (such as Zebularine, HY-13420), and have potential anti-metabolic and anti-tumor activities[1].
CAS Number
56367-98-7
UNSPSC
12352005
Hazard Statement
H302-H315-H319
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-ethyl-cytidine.html
Solubility
10 mM in DMSO
Smiles
OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](N2C(N=C(N)C(CC)=C2)=O)O1
Molecular Formula
C11H17N3O5
Molecular Weight
271.27
Precautions
P261-P302+P352
References & Citations
[1]Gowher H, et al. Mechanism of inhibition of DNA methyltransferases by cytidine analogs in cancer therapy. Cancer Biol Ther. 2004 Nov;3 (11) :1062-8.
Shipping Conditions
Room temperature
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

5-Ethyl cytidine
CAS Number56367-98-7
PubChem CID10107217
IUPAC Name4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethylpyrimidin-2-one
Molecular FormulaC11H17N3O5
Molecular Weight271.27
XLogP-1.6
Topological Polar Surface Area129
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity436
SMILES
CCC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C11H17N3O5/c1-2-5-3-14(11(18)13-9(5)12)10-8(17)7(16)6(4-15)19-10/h3,6-8,10,15-17H,2,4H2,1H3,(H2,12,13,18)/t6-,7-,8-,10-/m1/s1
InChIKey
UEHXEKJKNOHULW-FDDDBJFASA-N
Chemical Structure
2D Structure
2D structure of 5-Ethyl cytidine
CAS: 56367-98-7
CID: 10107217
Formula: C11H17N3O5
MW: 271.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.27
XLogP3-1.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass271.11682065
Monoisotopic Mass271.11682065
Topological Polar Surface Area129 Ų
Heavy Atom Count19
Formal Charge0
Complexity436
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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