Tìm theo
Raltitrexed
Các tên gọi khác (3) :
  • Raltitrexed
  • Tomudex
  • ZD1694
Thuốc Gốc
Small Molecule
CAS: 112887-68-0
ATC: L01BA03
CTHH: C21H22N4O6S
PTK: 458.488
Raltitrexed (brand name Tomudex®) is a chemotherapy drug manufactured AstraZeneca Company, is an antimetabolite used in chemotherapy. It is an inhibitor of thymidylate synthase.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H22N4O6S
Phân tử khối
458.488
Monoisotopic mass
458.126005146
InChI
InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
InChI Key
InChIKey=IVTVGDXNLFLDRM-HNNXBMFYSA-N
IUPAC Name
(2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}thiophen-2-yl)formamido]pentanedioic acid
Traditional IUPAC Name
raltitrexed
SMILES
CN(CC1=CC2=C(NC(C)=NC2=O)C=C1)C1=CC=C(S1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Độ tan chảy
180-184 °C
Độ hòa tan
soluble
logP
-1.2
logS
-4.4
pKa (strongest acidic)
3.72
pKa (Strongest Basic)
-0.46
PSA
148.4 Å2
Refractivity
117.39 m3·mol-1
Polarizability
45.55 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
9
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Dược Lực Học : Raltitrexed belongs to a group of medicines known as antimetabolites. It is used to treat cancer of the colon and rectum. It may also be used to treat other kinds of cancer, as determined by your doctor. Raltitrexed blocks an enzyme needed by the cell to live. This interferes with the growth of cancer cells, which are eventually destroyed. Since the growth of normal body cells may also be affected by raltitrexed, other effects will also occur. Some of these may be serious and must be reported to your doctor. Other effects, like hair loss, may not be serious but may cause concern.
Cơ Chế Tác Dụng : Raltitrexed (brand name Tomudex®) is a chemotherapy drug manufactured AstraZeneca Company, is an antimetabolite used in chemotherapy. It is an inhibitor of thymidylate synthase. Raltitrexed is an antineoplastic Agents and folic acid antagonists. Raltitrexed inhibits thymidylate synthase (TS) leading to DNA fragmentation and cell death. It is transported into cells via a reduced folate carrier. Inside the cell Raltitrexed is extensively polyglutamated, which enhances thymidylate synthase inhibitory power and duration. Inhibition of this enzyme results in decreased synthesis of thymidine triphosphate which is required for DNA synthesis.
Dược Động Học :

▧ Protein binding :
>93%
▧ Metabolism :
Raltitrexed is transported into cells via a reduced folate carrier. Inside the cell it is extensively polyglutamated by the enzyme folyl polyglutamate synthetase to polyglutamate forms.
▧ Half Life :
198 hours
Độc Tính : Side effects include pale skin, troubled breathing, unusual bleeding or bruising, unusual tiredness or weakness, black, tarry stools, chest pain, chills, cough, fever, painful or difficult urination, shortness of breath, sore throat, sores, ulcers, or white spots on lips or in mouth, swollen glands, increase in bowel movements, loose stools, soft stools.
Chỉ Định : For the treatment of malignant neoplasm of colon and rectum
Liều Lượng & Cách Dùng : Powder, for solution - Intravenous
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty : AstraZeneca
    Sản phẩm biệt dược : Tomudex
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB00293
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=104758
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46504880
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C11372
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D01064
ChemSpider
http://www.chemspider.com/Chemical-Structure.94568.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=18795
PharmGKB
http://www.pharmgkb.org/drug/PA131625240
Wikipedia
http://en.wikipedia.org/wiki/Raltitrexed
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