Tìm theo
Uracil mustard
Các tên gọi khác (8 ) :
  • 5-(Di-2-chloroethyl)aminouracil
  • 5-[Bis(2-chloroethyl)amino]-2,4(1H,3H)-pyrimidinedione
  • 5-[Di(beta-chloroethyl)amino]uracil
  • 5-Aminouracil mustard
  • 5-N,N-Bis(2-chloroethyl)aminouracil
  • Aminouracil mustard
  • Uracil mustard
  • Uracil nitrogen mustard
Thuốc Gốc
Small Molecule
CAS: 66-75-1
CTHH: C8H11Cl2N3O2
PTK: 252.098
Nitrogen mustard derivative of uracil. It is a alkylating antineoplastic agent that is used in lymphatic malignancies, and causes mainly gastrointestinal and bone marrow damage. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H11Cl2N3O2
Phân tử khối
252.098
Monoisotopic mass
251.022832025
InChI
InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)
InChI Key
InChIKey=IDPUKCWIGUEADI-UHFFFAOYSA-N
IUPAC Name
5-[bis(2-chloroethyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Traditional IUPAC Name
uracil mustard
SMILES
ClCCN(CCCl)C1=CNC(=O)NC1=O
Độ tan chảy
206 dec °C
Độ hòa tan
1070 mg/L
logP
1.2
logS
-2.3
pKa (strongest acidic)
9.05
pKa (Strongest Basic)
1.61
PSA
61.44 Å2
Refractivity
58.35 m3·mol-1
Polarizability
22.91 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Dược Lực Học : Uracil Mustard selectively inhibits the synthesis of deoxyribonucleic acid (DNA). The guanine and cytosine content correlates with the degree of Uracil Mustard-induced cross-linking. At high concentrations of the drug, cellular RNA and protein synthesis are also suppressed.
Cơ Chế Tác Dụng : Nitrogen mustard derivative of uracil. It is a alkylating antineoplastic agent that is used in lymphatic malignancies, and causes mainly gastrointestinal and bone marrow damage. [PubChem] After activation, it binds preferentially to the guanine and cytosine moieties of DNA, leading to cross-linking of DNA, thus inhibiting DNA synthesis and function.
Dược Động Học :

▧ Protein binding :
5%
Chỉ Định : Used for its antineoplastic properties.
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty : Upjohn
    Sản phẩm biệt dược : Uracil Mustard
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB00791
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6194
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506168
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C11686
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D06265
ChemSpider
http://www.chemspider.com/Chemical-Structure.5959.html
PharmGKB
http://www.pharmgkb.org/drug/PA451830
Wikipedia
http://en.wikipedia.org/wiki/Uracil_mustard
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