Tìm theo
Elesclomol
Các tên gọi khác (1) :
  • STA-4783
Thuốc điều trị ung thư
Thuốc Gốc
Small Molecule
CAS: 488832-69-5
CTHH: C19H20N4O2S2
PTK: 400.518
Elesclomol is a novel, injectable, drug candidate that kills cancer cells by elevating oxidative stress levels beyond a breaking point, triggering programmed cell death. In preclinical models elesclomol showed potent killing of a broad range of cancer cell types at high doses, and an ability to strongly enhance the efficacy of certain chemotherapy agents, with minimal additional toxicity, at moderate doses. It is being developed by Synta Pharmaceuticals.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H20N4O2S2
Phân tử khối
400.518
Monoisotopic mass
400.102767284
InChI
InChI=1S/C19H20N4O2S2/c1-22(18(26)14-9-5-3-6-10-14)20-16(24)13-17(25)21-23(2)19(27)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,20,24)(H,21,25)
InChI Key
InChIKey=BKJIXTWSNXCKJH-UHFFFAOYSA-N
IUPAC Name
1-N',3-N'-dibenzenecarbothioyl-1-N',3-N'-dimethylpropanedihydrazide
Traditional IUPAC Name
1-N',3-N'-dibenzenecarbothioyl-1-N',3-N'-dimethylpropanedihydrazide
SMILES
CN(NC(=O)CC(=O)NN(C)C(=S)C1=CC=CC=C1)C(=S)C1=CC=CC=C1
Độ hòa tan
2.82e-03 g/l
logP
2.81
logS
-5.2
pKa (strongest acidic)
10.45
pKa (Strongest Basic)
-2.7
PSA
64.68 Å2
Refractivity
115.48 m3·mol-1
Polarizability
41.34 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
2
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Dược Lực Học : Elesclomol is a first-in-class heat shock protein 70 (Hsp70) inducer that activates natural killer (NK) cell-mediated tumor killing.
Cơ Chế Tác Dụng : Elesclomol is a novel, injectable, drug candidate that kills cancer cells by elevating oxidative stress levels beyond a breaking point, triggering programmed cell death. In preclinical models elesclomol showed potent killing of a broad range of cancer cell types at high doses, and an ability to strongly enhance the efficacy of certain chemotherapy agents, with minimal additional toxicity, at moderate doses. It is being developed by Synta Pharmaceuticals. Elesclomol acts through a novel mechanism of action. Elesclomol has been shown to rapidly cause a dramatic increase in oxidative stress (ROS) inside cancer cells. The prolonged elevation of ROS inside cancer cells induced by elesclomol causes the cell to exceed a critical breaking point and undergo apoptosis. The triggering of the mitochondrial apoptosis pathway is observed within the first six hours of applying elesclomol. Cancer cells operate at a much higher intrinsic level of ROS than normal cells, and have a greatly reduced anti-oxidant capacity compared to normal cells. This leaves them more vulnerable to an agent such as elesclomol that elevates oxidative stress. In similar experiments at similar doses, elesclomol has been found to have little to no impact on normal cells.
Chỉ Định : Investigated for use/treatment in melanoma.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05719
ChemSpider
http://www.chemspider.com/Chemical-Structure.265501.html
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