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55837-20-2

55837-20-2 structural image
Product Name: Halofuginone
Formula: C16H17BrClN3O3
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COMPUTED DESCRIPTORS

Molecular Weight 414.7 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 413.01418 g/mol
Monoisotopic Mass 413.01418 g/mol
Topological Polar Surface Area 82 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 533
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Halofuginone is an orally-active quinazolinone alkaloid with potential antineoplastic activity. Halofuginone interferes with the signaling pathway of transforming growth factor beta (TGF beta) and inhibits expression of matrix metalloproteinase 2, thereby inhibiting collagen type I synthesis and inducing extracellular matrix degradation, resulting in inhibition of angiogenesis, tumor growth, or metastasis.