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经验公式(希尔记法):
C30H38O11
化学文摘社编号:
分子量:
574.62
UNSPSC Code:
51111800
NACRES:
NA.77
MDL number:
Assay:
≥90% (HPLC)
Form:
powder
Quality Segment
assay
≥90% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 2 mg/mL, clear
storage temp.
-10 to -25°C
SMILES string
C[C@@]1([C@H]2OC(C)=O)[C@]3([C@]([H])(O3)C[C@H]1C4=COC=C4)[C@]5(C)[C@H](O)C[C@@]6([H])[C@@](C)([C@@H]7O)[C@H](OC(C)=O)C[C@H](O)[C@]6(CO7)[C@@]5([H])C2=O
InChI
1S/C30H38O11/c1-13(31)39-20-10-19(34)29-12-38-25(36)26(20,3)17(29)9-18(33)28(5)23(29)22(35)24(40-14(2)32)27(4)16(15-6-7-37-11-15)8-21-30(27,28)41-21/h6-7,11,16-21,23-25,33-34,36H,8-10,12H2,1-5H3/t16-,17-,18+,19-,20+,21+,23-,24-,25+,26+,27+,28+,29+,30+/m0/
InChI key
NAHTXVIXCMUDLF-RFNFAWMESA-N
Biochem/physiol Actions
Botulinum neurotoxin inhibitor; Inhibitor of anthrax Lethal Toxin-induced cell death; exhibits potent antiviral activity against SARS-CoV-2, SFTSV, and bunyavirus.
Toosendanin is a natural occuring triterpenoid recently found to be an inhibitor of botulinum neurotoxin and also found to be an inhibitor of anthrax Lethal Toxin (LT)-induced cell death. Anthrax toxin is composed of three proteins: the toxin B subunit protective antigen (PA), a zinc metalloprotease lethal factor (LF), and an adenylate cyclase edema factor (EF). PA and EF combine to form edema toxin (ET) while PA and LF combine to form lethal toxin (LT), which induces rapid caspase-1 dependent cell death in macrophages. Toosendanin had an IC50 of 56 nM (32 ng/ml) against LT, likely by inhibiting endocytosis and endosomal acidification. Toosendanin has also been found to suppress proliferation and induce apoptosis in a variety of human cancer cells, possibly mediated through JNK signaling pathway.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
