Tìm theo
Novobiocin
Các tên gọi khác (5 ) :
  • N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide
  • Novobiocin
  • Novobiocina
  • Novobiocine
  • Novobiocinum
Thuốc trị ký sinh trùng, chống nhiễm khuẩn
Thuốc Gốc
Small Molecule
CAS: 303-81-1
CTHH: C31H36N2O11
PTK: 612.6243
An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189) [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C31H36N2O11
Phân tử khối
612.6243
Monoisotopic mass
612.231910004
InChI
InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
InChI Key
InChIKey=YJQPYGGHQPGBLI-KGSXXDOSSA-N
IUPAC Name
(3R,4S,5R,6R)-5-hydroxy-6-[(4-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzene]amido}-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-3-methoxy-2,2-dimethyloxan-4-yl carbamate
Traditional IUPAC Name
(3R,4S,5R,6R)-5-hydroxy-6-({4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-2-oxochromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl carbamate
SMILES
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](OC2=C(C)C3=C(C=C2)C(O)=C(NC(=O)C2=CC=C(O)C(CC=C(C)C)=C2)C(=O)O3)OC1(C)C
Độ hòa tan
Insoluble
logP
4.1
logS
-4.8
pKa (strongest acidic)
6.96
pKa (Strongest Basic)
-3.9
PSA
196.1 Å2
Refractivity
158.24 m3·mol-1
Polarizability
63.97 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
9
H Bond Donor Count
5
Physiological Charge
-1
Number of Rings
4
Bioavailability
1
MDDR-Like Rule
true
pKa
4.3
Dược Lực Học : Novobiocin is an aminocoumarin antibiotic that was produced by the actinomycete Streptomyces niveus. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. Other antibiotics in the aminocoumarin class include coumermycin A1 and clorobiocin.
Cơ Chế Tác Dụng : An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189) [PubChem] Novobiocin is an aminocoumarin. Aminocoumarins are very potent inhibitors of bacterial DNA gyrase and work by inhibiting the GyrB subunit of the enzyme involved in energy tranduction. Novobiocin as well as the other aminocoumarin antibiotics act as competitive inhibitors of the ATPase reaction catalysed by GyrB.
Dược Động Học :
▧ Absorption :
Oral bioavailability is negligible.
▧ Protein binding :
95%
▧ Half Life :
6 hours
Chỉ Định : For the treatment of infections due to staphylococci and other susceptible organisms
Liều Lượng & Cách Dùng : Injection, powder, for solution - Intravenous
Dữ Kiện Thương Mại
Nhà Sản Xuất
  • Công ty :
    Sản phẩm biệt dược : Albamycin
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01051
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=9346
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507250
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C05080
ChemSpider
http://www.chemspider.com/Chemical-Structure.8981.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=282
PharmGKB
http://www.pharmgkb.org/drug/PA164768819
Wikipedia
http://en.wikipedia.org/wiki/Novobiocin
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