Brusatol (NSC 172924), isolated from B. javanica fruit, is an NRF2 inhibitor. It can be developed as an adjuvant chemotherapy compound that can increase apoptosis.

 

Brand: BCM

 

Target: Others; Ferroptosis; Nrf2

 

Signaling Pathways: Apoptosis; Cell Cycle/Checkpoint; Immunology/Inflammation; Others

 

Boiling Point: 724.3±60.0 °C(Predicted)

 

Optical activity: [α]/D +35 to +44°, c = 0.5 in acetone

 

pKa: 8.81±0.70(Predicted)

 

Solubility: Soluble in DMSO. Insoluble in Water; insoluble in Ethanol.

 

GHS: GHS07

 

Isomeric 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  

 

InChIKey: ZZZYHIMVKOHVIH-VILODJCFSA-N  

 

InChI: InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1

 

Attribute
[Chem Name]	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
[Synonym]	Brusatol; NSC 172924; Yatansin; (+)-Brusatol
[CAS No.]	14907-98-3
[MDL No.]	MFCD01746220
[Formula]	C26H32O11
[Molecular]	520.53
[Form]	White to beige powder
[Storage]	Inert atmosphere. Store in freezer, under -20°C

Goods Tag