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8-Chloroinosine

CAT: 0804-HY-134295-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-134295-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
8-Chloroinosine 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
116285-77-9
UNSPSC
12352005
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/8-chloroinosine.html
Solubility
10 mM in DMSO
Smiles
O[C@H]1[C@@H](O)[C@H](N2C(N=CNC3=O)=C3N=C2Cl)O[C@@H]1CO
Molecular Formula
C10H11ClN4O5
Molecular Weight
302.67
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
Reference compound1
Clinical Information
No Development Reported

Chemical Information

8-Chloro-inosine

structure in first source

CAS Number116285-77-9
PubChem CID135410347
IUPAC Name8-chloro-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Molecular FormulaC10H11ClN4O5
Molecular Weight302.67
XLogP-1.2
Topological Polar Surface Area129
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity438
SMILES
C1=NC2=C(C(=O)N1)N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl
InChI
InChI=1S/C10H11ClN4O5/c11-10-14-4-7(12-2-13-8(4)19)15(10)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H,12,13,19)/t3-,5-,6-,9-/m1/s1
InChIKey
ROPMUQKCJYNROP-UUOKFMHZSA-N
Chemical Structure
2D Structure
2D structure of 8-Chloro-inosine
CAS: 116285-77-9
CID: 135410347
Formula: C10H11ClN4O5
MW: 302.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.67
XLogP3-1.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass302.0417972
Monoisotopic Mass302.0417972
Topological Polar Surface Area129 Ų
Heavy Atom Count20
Formal Charge0
Complexity438
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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