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3′-Chloro-3′-deoxythymidine

CAT: 0804-HY-154740-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-154740-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3′-Chloro-3′-deoxythymidine 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
25526-94-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
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/3-chloro-3-deoxythymidine.html
Solubility
10 mM in DMSO
Smiles
Cl[C@H]1C[C@H](N2C(NC(C(C)=C2)=O)=O)O[C@@H]1CO
Molecular Formula
C10H13ClN2O4
Molecular Weight
260.67
Precautions
H302, H315, H319, H335
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
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

Thymidine, 3'-chloro-3'-deoxy-
CAS Number25526-94-7
PubChem CID72249
IUPAC Name1-[(2R,4S,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular FormulaC10H13ClN2O4
Molecular Weight260.67
XLogP0
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity385
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)Cl
InChI
InChI=1S/C10H13ClN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
InChIKey
KQVJDKGDGLWBQT-XLPZGREQSA-N
Chemical Structure
2D Structure
2D structure of Thymidine, 3'-chloro-3'-deoxy-
CAS: 25526-94-7
CID: 72249
Formula: C10H13ClN2O4
MW: 260.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.67
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass260.0563846
Monoisotopic Mass260.0563846
Topological Polar Surface Area78.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity385
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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