Halofuginone hydrobromideProduct ingredient for Halofuginone
- Name
- Halofuginone hydrobromide
- Drug Entry
- Halofuginone
Halofuginone is a low molecular weight quinazolinone alkaloid, and a potent inhibitor of collagen alpha1(I) and matrix metalloproteinase 2 (MMP-2) gene expression. Halofuginone also effectively suppresses tumor progression and metastasis in mice. Collgard Biopharmaceuticals is developing halofuginone for the treatment of scleroderma and received orphan drug designation from the U.S. Food and Drug Administration in March, 2000.
- Accession Number
- DBSALT000462
- Structure
Structure for Halofuginone hydrobromide (DBSALT000462)
- Synonyms
- Halofuginone HBr / Stenorol
- External IDs
- RU-19110
- UNII
- PTC2969MV1
- CAS Number
- 64924-67-0
- Weight
- Average: 495.6
Monoisotopic: 492.940345 - Chemical Formula
- C16H18Br2ClN3O3
- InChI Key
- SJUWEPZBTXEUMU-LIOBNPLQSA-N
- InChI
- InChI=1S/C16H17BrClN3O3.BrH/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14;/h5-6,8,14-15,19,23H,1-4,7H2;1H/t14-,15+;/m1./s1
- IUPAC Name
- 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}-3,4-dihydroquinazolin-4-one hydrobromide
- SMILES
- Br.O[C@H]1CCCN[C@@H]1CC(=O)CN1C=NC2=CC(Br)=C(Cl)C=C2C1=O
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.114 mg/mL ALOGPS logP 1.38 ALOGPS logP 1.71 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 14.48 Chemaxon pKa (Strongest Basic) 9.28 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 82 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 95.87 m3·mol-1 Chemaxon Polarizability 37.44 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon