Tìm theo
Methylthioinosine
Các tên gọi khác (16 ) :
  • 6-(methylthio)-9-beta-d-ribofuranosyl-9H-purine
  • 6-(Methylthio)purine ribonucleoside
  • 6-Methyl MP riboside
  • 6-Methyl MP-riboside
  • 6-methyl-9-ribofuranosyl-purine-6-thiol
  • 6-Methyl-9-ribofuranosylpurine-6-thiol
  • 6-Methylmercaptopurine
  • 6-Methylmercaptopurine ribonucleoside
  • 6-Methylmercaptopurine riboside
  • 6-Methylthioinosine
  • 6-Methylthiopurine riboside
  • 6-MMPR
  • beta-D-Ribosyl-6-methylthiopurine
  • Me6MPR
  • Methylmercaptopurine riboside
  • MMPR
Thuốc Gốc
Small Molecule
CAS: 342-69-8
CTHH: C11H14N4O4S
PTK: 298.318
An analog of inosine with a methylthio group replacing the hydroxyl group in the 6-position. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H14N4O4S
Phân tử khối
298.318
Monoisotopic mass
298.073575646
InChI
InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8+,11+/m0/s1
InChI Key
InChIKey=ZDRFDHHANOYUTE-WOIOKPISSA-N
IUPAC Name
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-[6-(methylsulfanyl)-9H-purin-9-yl]oxolane-3,4-diol
Traditional IUPAC Name
methylthioinosine
SMILES
CSC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O
Độ tan chảy
164 °C
Độ hòa tan
8.21e+00 g/l
logP
0.09
logS
-1.6
pKa (strongest acidic)
12.45
pKa (Strongest Basic)
4.5
PSA
113.52 Å2
Refractivity
71.25 m3·mol-1
Polarizability
28.79 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
7
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Độc Tính : IPR-RAT LD50: 65 mg/kg
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02896
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936521
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505005
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