Tìm theo
Zebularine
Các tên gọi khác (6 ) :
  • 1-beta-D-ribofuranosyl-2(1H)-pyrimidinone
  • 1-beta-D-ribofuranosylpyrimidin-2(1H)-one
  • DHZ
  • Pyrimidin-2-one beta-D-ribofuranoside
  • pyrimidin-2-one beta-ribofuranoside
  • Pyrimidin-2-one ribonucleoside
Thuốc Gốc
Small Molecule
CAS: 3690-10-6
CTHH: C9H12N2O5
PTK: 228.202
A chemically stable, cytidine analog that displays anti-tumor properties. Acts as a transition state analog inhibitor of cytidine deaminase by binding to the active size as covalent hydrates. Also shown to inhibit DNA methylation and tumor growth both in vitro and in vivo.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H12N2O5
Phân tử khối
228.202
Monoisotopic mass
228.074621504
InChI
InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8-/m1/s1
InChI Key
InChIKey=RPQZTTQVRYEKCR-WCTZXXKLSA-N
IUPAC Name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
Traditional IUPAC Name
zebularine
SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC=NC1=O
Độ hòa tan
5.82e+01 g/l
logP
-2.2
logS
-0.59
pKa (strongest acidic)
12.55
pKa (Strongest Basic)
-3
PSA
102.59 Å2
Refractivity
51.68 m3·mol-1
Polarizability
20.83 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03068
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=100016
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46504541
... loading
... loading