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Clofarabine

CAT: 0931-T0297-08Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T0297-08Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123318-82-1
Target
Apoptosis, Nucleoside Antimetabolite/Analog, Autophagy, DNA/RNA Synthesis
Related Pathways
Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Autophagy, Apoptosis
Purity
>99.99%
Bioactivity
Clofarabine (Clofarex) m, a second generation purine nucleoside analog with antineoplastic activity, inhibits the enzymatic activities of ribonucleotide reductase (IC50 = 65 nM) and DNA polymerase.
Smiles
Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F
Molecular Formula
C10H11ClFN5O3
Molecular Weight
303.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Clofarabine

Clofarabine is a purine nucleoside analogue consisting of a 6-amino-2-chloropurin-9-yl group attached to the 1beta position of 2'-deoxy-2'-fluoro-D-arabinofuranose. It is metabolized intracellularly to the active 5'-triphosphate metabolite, which inhibits DNA synthesisis and so stops the growth of cancer cells. Clofarabine is used as an antimetabolite antineoplastic agent in the treatment of relapsed or refractory acute lymphoblastic leukaemia. It has a role as an antimetabolite and an antineoplastic agent. It is a member of adenosines and an organofluorine compound.

CAS Number123318-82-1
PubChem CID119182
IUPAC Name(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Molecular FormulaC10H11ClFN5O3
Molecular Weight303.68
XLogP0.9
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity370
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)Cl)N
InChI
InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1
InChIKey
WDDPHFBMKLOVOX-AYQXTPAHSA-N
Chemical Structure
2D Structure
2D structure of Clofarabine
CAS: 123318-82-1
CID: 119182
Formula: C10H11ClFN5O3
MW: 303.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.68
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass303.0534451
Monoisotopic Mass303.0534451
Topological Polar Surface Area119 Ų
Heavy Atom Count20
Formal Charge0
Complexity370
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

Alternative Products

CatalogName
A1412-5.1Clofarabine
469352-01α-Clofarabine

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