Forodesine hydrochlorideProduct ingredient for Forodesine
- Name
- Forodesine hydrochloride
- Drug Entry
- Forodesine
Forodesine is a highly potent, orally active, rationally designed PNP inhibitor that has shown activity in preclinical studies with malignant cells and clinical utility against T-cell acute lymphoblastic leukemia and cutaneous T-cell lymphoma. Additional preliminary findings support its use for the management of some B-cell malignancies.
- Accession Number
- DBSALT001997
- Structure
- Synonyms
- Forodesine HCl
- UNII
- 6SN82Y9U73
- CAS Number
- 284490-13-7
- Weight
- Average: 302.72
Monoisotopic: 302.0781827 - Chemical Formula
- C11H15ClN4O4
- InChI Key
- WEIAMZKHBCLFOG-QPAIBFMUSA-N
- 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
- IUPAC Name
- 7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one hydrochloride
- SMILES
- Cl.OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)C1=CNC2=C1N=CNC2=O
- External Links
- ChemSpider
- 9667998
- ChEMBL
- CHEMBL550755
- Predicted Properties
Property Value Source Water Solubility 4.11 mg/mL ALOGPS logP -1.8 ALOGPS logP -2.7 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 10.03 Chemaxon pKa (Strongest Basic) 7.94 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 129.97 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 66.37 m3·mol-1 Chemaxon Polarizability 25.73 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon