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5-Iodo-cytidine

CAT: 0804-HY-W008615-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W008615-01Size:1 g
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Description
5-Iodo-cytidine (5-Iodo-D-cytidine) 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
1147-23-5
Product Name Alternative
5-Iodo-D-cytidine
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Nucleoside Antimetabolite/Analog
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/5-iodo-cytidine.html
Concentration
10mM
Purity
99.76
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(N=C(N)C(I)=C1)N1[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
Molecular Formula
C9H12IN3O5
Molecular Weight
369.11
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, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Iodocytidine

RN given refers to parent cpd

CAS Number1147-23-5
PubChem CID159359
IUPAC Name4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
Molecular FormulaC9H12IN3O5
Molecular Weight369.11
XLogP-1.7
Topological Polar Surface Area129
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity426
SMILES
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)I
InChI
InChI=1S/C9H12IN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1
InChIKey
LQQGJDJXUSAEMZ-UAKXSSHOSA-N
Chemical Structure
2D Structure
2D structure of Iodocytidine
CAS: 1147-23-5
CID: 159359
Formula: C9H12IN3O5
MW: 369.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.11
XLogP3-1.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass368.98217
Monoisotopic Mass368.98217
Topological Polar Surface Area129 Ų
Heavy Atom Count18
Formal Charge0
Complexity426
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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