Tìm theo
G418
Thuốc Gốc
Small Molecule
CAS: 49863-47-0
CTHH: C20H40N4O10
PTK: 496.5524
G418 (also known as Geneticin) is an aminoglycoside antibiotic similar in structure to gentamicin B1. It is produced by Micromonospora rhodorangea. G418 blocks polypeptide synthesis by inhibiting the elongation step in both prokaryotic and eukaryotic cells. Resistance to G418 is conferred by the neo gene from Tn5 encoding an aminoglycoside 3‘-phosphotransferase, APH 3‘ II. G418 is commonly used in laboratory research to select genetically engineered cells.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H40N4O10
Phân tử khối
496.5524
Monoisotopic mass
496.27444352
InChI
InChI=1S/C20H40N4O10/c1-6(25)14-11(27)10(26)9(23)18(32-14)33-15-7(21)4-8(22)16(12(15)28)34-19-13(29)17(24-3)20(2,30)5-31-19/h6-19,24-30H,4-5,21-23H2,1-3H3/t6-,7-,8+,9+,10+,11-,12-,13+,14+,15+,16-,17+,18-,19-,20+/m1/s1
InChI Key
InChIKey=BRZYSWJRSDMWLG-IITTXYGFSA-N
IUPAC Name
(2R,3S,4S,5R)-2-{[(1R,2R,3S,4R,6S)-4,6-diamino-3-{[(2S,3S,4S,5R,6S)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol
Traditional IUPAC Name
(2R,3S,4S,5R)-2-{[(1R,2R,3S,4R,6S)-4,6-diamino-3-{[(2S,3S,4S,5R,6S)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol
SMILES
CN[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@@H]([C@@H](C)O)[C@H](O)[C@@H](O)[C@@H]3N)[C@H]2O)OC[C@]1(C)O
Độ hòa tan
5.83e+01 g/l
logP
-5.3
logS
-0.93
pKa (strongest acidic)
12.42
pKa (Strongest Basic)
9.79
PSA
248.39 Å2
Refractivity
114 m3·mol-1
Polarizability
50.77 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
14
H Bond Donor Count
10
Physiological Charge
4
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04263
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936936
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505367
Wikipedia
http://en.wikipedia.org/wiki/G418
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