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3-Methylcytidine

CAT: 0804-HY-111645-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-111645-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3-Methylcytidine, a urinary nucleoside, can be used as a biomarker of four different types of cancer: lung cancer, gastric cancer, colon cancer, and breast cancer[1].
CAS Number
2140-64-9
UNSPSC
12352005
Target
Nucleoside Antimetabolite/Analog
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Neuroscience-Neuromodulation
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/3-Methylcytidine.html
Purity
99.31
Solubility
DMSO : 83.33 mg/mL (ultrasonic) |H2O : 90 mg/mL (ultrasonic)
Smiles
OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](N(C(N2C)=O)C=CC2=N)O1
Molecular Formula
C10H15N3O5
Molecular Weight
257.24
References & Citations
[1]Hsu WY, et al. Urinary nucleosides as biomarkers of breast, colon, lung, and gastric cancer in Taiwanese. PLoS One. 2013 Dec 19;8 (12) :e81701.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-Methylcytidine

3-methylcytidine is a methylcytidine.

CAS Number2140-64-9
PubChem CID14237477
IUPAC Name1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-3-methylpyrimidin-2-one
Molecular FormulaC10H15N3O5
Molecular Weight257.24
XLogP-1.7
Topological Polar Surface Area117
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity399
SMILES
CN1C(=N)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H15N3O5/c1-12-6(11)2-3-13(10(12)17)9-8(16)7(15)5(4-14)18-9/h2-3,5,7-9,11,14-16H,4H2,1H3/t5-,7-,8-,9-/m1/s1
InChIKey
RDPUKVRQKWBSPK-ZOQUXTDFSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylcytidine
CAS: 2140-64-9
CID: 14237477
Formula: C10H15N3O5
MW: 257.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.24
XLogP3-1.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass257.10117059
Monoisotopic Mass257.10117059
Topological Polar Surface Area117 Ų
Heavy Atom Count18
Formal Charge0
Complexity399
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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