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Forodesine hydrochloride 25mg

CAT: 0628-A20908-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A20908-25Size:25 mg
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CAS Number
284490-13-7

Chemical Information

Forodesine Hydrochloride

Forodesine Hydrochloride is the hydrochloride salt of the synthetic high-affinity transition-state analogue forodesine. Forodesine binds preferentially to and inhibits purine nucleotide phosphorylase (PNP), resulting in the accumulation of deoxyguanosine triphosphate and the subsequent inhibition of the enzyme ribonucleoside diphosphate reductase and DNA synthesis. This agent selectively causes apoptosis in stimulated or malignant T-lymphocytes. A transition state analogue is a substrate designed to mimic the properties or the geometry of the transition state of reaction.

CAS Number284490-13-7
PubChem CID135449327
IUPAC Name7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride
Molecular FormulaC11H15ClN4O4
Molecular Weight302.71
Topological Polar Surface Area130
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity404
SMILES
C1=C(C2=C(N1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O.Cl
InChI
InChI=1S/C11H14N4O4.ClH/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19;/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19);1H/t5-,7+,9-,10+;/m1./s1
InChIKey
WEIAMZKHBCLFOG-QPAIBFMUSA-N
Chemical Structure
2D Structure
2D structure of Forodesine Hydrochloride
CAS: 284490-13-7
CID: 135449327
Formula: C11H15ClN4O4
MW: 302.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.71
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass302.0781827
Monoisotopic Mass302.0781827
Topological Polar Surface Area130 Ų
Heavy Atom Count20
Formal Charge0
Complexity404
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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