Tìm theo
MLN-518
Các tên gọi khác (1) :
  • tandutinib
Thuốc Gốc
Small Molecule
CTHH: C31H42N6O4
PTK: 562.703
MLN518 is a novel, oral, small molecule designed to inhibit type III receptor tyrosine kinases, including FLT3, (platelet-derived growth-factor receptor) PDGFR and c-KIT. Tyrosine kinases are enzymes involved in several cellular processes and are known to be activated in cancer cells to drive tumor growth. AML patients with FLT3 mutations experience earlier disease relapse and shorter survival rates compared to patients without these mutations. Approximately 25 to 30 percent of all adult AML patients have a mutation of the FLT3 gene. The use of MLN518 to treat AML has been granted fast-track status by the U.S. Food and Drug Administration. Phase I/II trials are underway.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C31H42N6O4
Phân tử khối
562.703
Monoisotopic mass
562.326753862
InChI
InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)
InChI Key
InChIKey=UXXQOJXBIDBUAC-UHFFFAOYSA-N
IUPAC Name
4-{6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}-N-[4-(propan-2-yloxy)phenyl]piperazine-1-carboxamide
Traditional IUPAC Name
tandutinib
SMILES
COC1=C(OCCCN2CCCCC2)C=C2N=CN=C(N3CCN(CC3)C(=O)NC3=CC=C(OC(C)C)C=C3)C2=C1
Độ hòa tan
7.53e-02 g/l
logP
4.34
logS
-3.9
pKa (strongest acidic)
14.01
pKa (Strongest Basic)
9.03
PSA
92.29 Å2
Refractivity
162.58 m3·mol-1
Polarizability
64.11 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
8
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
5
Bioavailability
1
MDDR-Like Rule
true
Dược Lực Học : MLN518 is a novel quinazoline-based small molecule inhibitor of the FLT3, KIT, and platelet-derived growth-factor receptor (PDGFR) tyrosine kinases with that has been shown to have great efficacy in murine models of FLT3 ITD-positive leukemia. Experiments with mice demonstrate that at effective concentrations, MLN518 has mild toxicity toward normal hematopoiesis for FLT3 ITD-positive leukemia. MLN518 has also been shown to preferentially inhibit the growth of blast colonies from FLT3 ITD-positive as compared to ITD-negative patients with AML, without significantly affecting colony formation by normal human progenitor cells.
Cơ Chế Tác Dụng : MLN518 is a novel, oral, small molecule designed to inhibit type III receptor tyrosine kinases, including FLT3, (platelet-derived growth-factor receptor) PDGFR and c-KIT. Tyrosine kinases are enzymes involved in several cellular processes and are known to be activated in cancer cells to drive tumor growth. AML patients with FLT3 mutations experience earlier disease relapse and shorter survival rates compared to patients without these mutations. Approximately 25 to 30 percent of all adult AML patients have a mutation of the FLT3 gene. The use of MLN518 to treat AML has been granted fast-track status by the U.S. Food and Drug Administration. Phase I/II trials are underway. MLN518 inhibits tyrosine kinases; Specifically, it is selective for FLT3, KIT, and platelet-derived growth-factor receptor (PDGFR).
Chỉ Định : Investigated for use/treatment in leukemia (myeloid).
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Tandutinib
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB05465
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=3038522
ChemSpider
http://www.chemspider.com/Chemical-Structure.2302085.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13535
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