Tìm theo
Tagetitoxin
Các tên gọi khác (1) :
  • (1R,4R,5R,6R,7S,8R)-6-ACETOXY-7-AMINO-4-CARBAMOYL-4-HYDROXY-8-(PHOSPHONOOXY)-9-OXA-3-THIABICYCLO[3.3.1]NONANE-1-CARBOXYLIC ACID
Thuốc Gốc
Small Molecule
CAS: 87913-21-1
CTHH: C11H17N2O11PS
PTK: 416.298
Tagetitoxin is a bacterial phytotoxin. It preferentially inhibits eukaryotic RNA polymerase.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H17N2O11PS
Phân tử khối
416.298
Monoisotopic mass
416.029066598
InChI
InChI=1S/C11H17N2O11PS/c1-3(14)22-5-4(12)6(24-25(19,20)21)10(9(16)17)2-26-11(18,8(13)15)7(5)23-10/h4-7,18H,2,12H2,1H3,(H2,13,15)(H,16,17)(H2,19,20,21)/t4-,5+,6+,7+,10+,11+/m0/s1
InChI Key
InChIKey=UVAAUIDYGIWLMB-HGNFPZBQSA-N
IUPAC Name
(1R,4R,5R,6R,7S,8R)-6-(acetyloxy)-7-amino-4-carbamoyl-4-hydroxy-8-(phosphonooxy)-9-oxa-3-thiabicyclo[3.3.1]nonane-1-carboxylic acid
Traditional IUPAC Name
tagetitoxin
SMILES
CC(=O)O[C@@H]1[C@H](N)[C@@H](OP(O)(O)=O)[C@]2(CS[C@](O)([C@@H]1O2)C(N)=O)C(O)=O
Độ hòa tan
3.75e+01 g/l
logP
-3.8
logS
-1.1
pKa (strongest acidic)
0.85
pKa (Strongest Basic)
8.72
PSA
228.93 Å2
Refractivity
80.58 m3·mol-1
Polarizability
34.14 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
10
H Bond Donor Count
6
Physiological Charge
-2
Number of Rings
2
Bioavailability
0
Cơ Chế Tác Dụng : Tagetitoxin is a bacterial phytotoxin. It preferentially inhibits eukaryotic RNA polymerase. Tagetitoxin inhibits all RNAP catalytic reactions. Tagetitoxin binding is mediated exclusively through polar interactions with the beta and beta' residues whose substitutions confer resistance to tagetitoxin in vitro.
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04788
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5327077
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506068
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