Halofuginone

• CAS: 55837-20-2
• Catalog Number: ACM55837202
• Category: Inhibitors
• Molecular Weight: 414.68
• Molecular Formula: C₁₆H₁₇BrClN₃O₃
• Description: Halofuginone (RU-19110), a Febrifugine derivative, is a competitive prolyl-tRNA synthetase inhibitor with a Ki of 18.3 nM. Halofuginone is a specific inhibitor of type-I collagen synthesis and attenuates osteoarthritis (OA) by inhibition of TGF-β activity. Halofuginone is also a potent pulmonary vasodilator by activating Kv channels and blocking voltage-gated, receptor-operated and store-operated Ca2+ channels. Halofuginone has anti-malaria, anti-inflammatory, anti-cancer, anti-fibrosis effects.
• Synonyms: 7-bromo-6-chloro-3-[3-[(2r,3s)-3-hydroxy-2-piperidyl]-2-oxopropyl]-4(3h)-quinazolinone;HALOFUGINONE;4(3h)-quinazolinone,7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropy;7-Bromo-6-chloro-3[3-(3-hydroxy-2-piperidi-nyl)-2-oxopropyl]-4(3H)-quinzolinone;trans-7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-4(3h)-qui;trans-l);7-Bromo-6-chloro-3-(3-(3-hydroxypiperidin-2-yl)-2-oxopropyl)quinazolin-4(3H)-one;7-Bromo-6-chlorofebrifugine Hydrochloride
• Canonical SMILES: O=C1N(CC(C[C@@H]2NCCC[C@H]2O)=O)C=NC3=C1C=C(Cl)C(Br)=C3
• Melting Point: >150°C dec.
• Appearance: Solid
• Storage: Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Source: PlantsSaxifragaceaeDichroa febrifuga Lour

Custom Q&A

What is the molecular formula of Halofuginone?

The molecular formula of Halofuginone is C16H17BrClN3O3.

What is the molecular weight of Halofuginone?

The molecular weight of Halofuginone is 414.7 g/mol.

What is the IUPAC name of Halofuginone?

The IUPAC name of Halofuginone is 7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one.

What is the InChI of Halofuginone?

The InChI of Halofuginone is InChI=1S/C16H17BrClN3O3/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/t14-,15+/m0/s1.

What is the InChIKey of Halofuginone?

The InChIKey of Halofuginone is LVASCWIMLIKXLA-LSDHHAIUSA-N.

How many hydrogen bond donor counts does Halofuginone have?

Halofuginone has 2 hydrogen bond donor counts.

What is the exact mass of Halofuginone?

The exact mass of Halofuginone is 413.01418 g/mol.

How many rotatable bond counts does Halofuginone have?

Halofuginone has 4 rotatable bond counts.

What is the topological polar surface area of Halofuginone?

The topological polar surface area of Halofuginone is 82 Ų.

What is the complexity value of Halofuginone?

The complexity value of Halofuginone is 533.