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Chemical structure of Brusatol

GC34070

Brusatol

Also known as methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

Brusatol is an Nrf2 inhibitor isolated from Brucea javanica and exhibits significant tumor inhibition in multiple cancers through decreased resistance to cancer oxidative stress injury

ChemicalCAS14907-98-3MW520.53FormulaC26H32O11
CAS number
14907-98-3
Molecular weight
520.53
Formula
C26H32O11
Solubility
DMF： 1 mg/ml,DMSO： 1 mg/ml,DMSO：PBS (pH 7·2) (1：1)： 0·5 mg/ml
InChIKey
ZZZYHIMVKOHVIH-VILODJCFSA-N
Catalogue number
GC34070
Brand
GLPBIO
Computed properties PubChem CID 73432 · XLogP 0.9 · TPSA 166 Ų · H-bond donors 3
XLogP
0.9
TPSA
166 Ų
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
5
Heavy atoms
37

SMILES CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O

Computed descriptors from PubChem (CID 73432), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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