Tìm theo
AG3340
Các tên gọi khác (1) :
  • Prinomastat
matrix metalloproteinase inhibitors
Thuốc Gốc
Small Molecule
CAS: 192329-42-3
CTHH: C18H21N3O5S2
PTK: 423.506
AG3340 is a synthetic hydroxamic acid derivative with potential antineoplastic activity. AG3340 inhibits matrix metalloproteinases (MMPs) (specifically, MMP-2, 9, 13, and 14), thereby inducing extracellular matrix degradation, and inhibiting angiogenesis, tumor growth and invasion, and metastasis. As a lipophilic agent, AG3340 crosses the blood-brain barrier.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H21N3O5S2
Phân tử khối
423.506
Monoisotopic mass
423.092262177
InChI
InChI=1S/C18H21N3O5S2/c1-12-13(2)25-17(11-20-22)18(27)21(12)28(23,24)16-5-3-14(4-6-16)26-15-7-9-19-10-8-15/h3-10,12-13,17,20,22H,11H2,1-2H3
InChI Key
InChIKey=WRTVMPQUJJYFOB-UHFFFAOYSA-N
IUPAC Name
2-[(hydroxyamino)methyl]-5,6-dimethyl-4-{[4-(pyridin-4-yloxy)benzene]sulfonyl}morpholine-3-thione
Traditional IUPAC Name
2-[(hydroxyamino)methyl]-5,6-dimethyl-4-[4-(pyridin-4-yloxy)benzenesulfonyl]morpholine-3-thione
SMILES
CC1OC(CNO)C(=S)N(C1C)S(=O)(=O)C1=CC=C(OC2=CC=NC=C2)C=C1
Độ hòa tan
1.84e-02 g/l
logP
1.98
logS
-4.4
pKa (strongest acidic)
16.02
pKa (Strongest Basic)
5.94
PSA
100.99 Å2
Refractivity
118.03 m3·mol-1
Polarizability
41.56 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Dược Động Học :

▧ Half Life :
2-5 hours
Chỉ Định : Investigated for use/treatment in brain cancer, lung cancer, and prostate cancer.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Prinomastat
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05100
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3050430
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3855971
ChemSpider
http://www.chemspider.com/Chemical-Structure.2312492.html
... loading
... loading