Tìm theo
Halofuginone
Các tên gọi khác (1) :
  • Tempostatin (Collgard Biopharmaceuticals)
Thuốc điều trị ung thư
Thuốc Gốc
Small Molecule
CAS: 55837-20-2
CTHH: C16H17BrClN3O3
PTK: 414.681
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.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H17BrClN3O3
Phân tử khối
414.681
Monoisotopic mass
413.014181779
InChI
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-/m1/s1
InChI Key
InChIKey=LVASCWIMLIKXLA-YSSOQSIOSA-N
IUPAC Name
7-bromo-6-chloro-3-{3-[(3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl}-3,4-dihydroquinazolin-4-one
Traditional IUPAC Name
7-bromo-6-chloro-3-{3-[(3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4-one
SMILES
O[C@@H]1CCCNC1CC(=O)CN1C=NC2=CC(Br)=C(Cl)C=C2C1=O
Độ hòa tan
1.14e-01 g/l
logP
1.71
logS
-3.6
pKa (strongest acidic)
14.48
pKa (Strongest Basic)
9.28
PSA
82 Å2
Refractivity
95.87 m3·mol-1
Polarizability
37.59 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Dược Lực Học : Halofuginone, a fully synthetic small molecule, is a potent and selective regulator of stromal cell activation, cell migration and Collagen type I synthesis, a process that has been identified as a 'master switch' in the body's tissue repair process.
Cơ Chế Tác Dụng : 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. Halofuginone is a potent inhibitor of collagen a1(I) and matrix metalloproteinase 2 (MMP-2) gene expression. Halofuginone also suppresses extracellular matrix deposition and cell proliferation. The profound antitumoral effect of halofuginone is attributed to its combined inhibition of the tumor stromal support, vascularization, invasiveness, and cell proliferation.
Dược Động Học :
▧ Absorption :
Readily bioavailable and rapidly absorbed following oral administration.
▧ Half Life :
23.8 to 72.1 hours
Chỉ Định : For the treatment of scleroderma, cancer, and restenosis.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Stenorol
  • Công ty :
    Sản phẩm biệt dược : Tempostatin
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04866
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=62891
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=205078
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D04413
ChemSpider
http://www.chemspider.com/Chemical-Structure.56616.html
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