Brusatol

CAT: 0013-GTR19164526-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19164526-02Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

Brusatol

CAS Number

14907-98-3

Product Name Alternative

Radicals, reactive, oxygen, response, Toxicity, stress, synergistic effect, species, Apoptosis, antioxidant, Brusatol, (+) -Brusatol, chemosensitization, Chemical, cisplatin, Cell, defense, CT-26, inhibit, Keap1, Keap1-Nrf2, NSC 172924, Nrf2, NSC172924, NSC-172924, Inhibitor, Hepatocyte, Ferroptosis, Free

Field of Research

Cell Biology, Immunology & Inflammation

Purity

99.35% (May vary between batches)

Solubility

10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (9.61 mM) ; H2O:Insoluble; DMSO:240 mg/mL (461.07 mM)

Smiles

COC (=O) [C@]12OC[C@@]34[C@H]1[C@@H] (OC (=O) C=C (C) C) C (=O) O[C@@H]3C[C@H]1C (C) =C (O) C (=O) C[C@]1 (C) [C@H]4[C@@H] (O) [C@@H]2O

Molecular Formula

C26H32O11

Molecular Weight

520.53

Storage Conditions

Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.

Notes

For research use only.

Chemical Information

Brusatol

Brusatol is a triterpenoid.

CAS Number	14907-98-3
PubChem CID	73432
IUPAC 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
Molecular Formula	C26H32O11
Molecular Weight	520.5
XLogP	0.9
Topological Polar Surface Area	166
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Heavy Atom Count	37
Formal Charge	0
Complexity	1150

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

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

InChIKey

ZZZYHIMVKOHVIH-VILODJCFSA-N

Chemical Structure

2D Structure

CAS: 14907-98-3

CID: 73432

Formula: C26H32O11

MW: 520.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	520.5
XLogP3	0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	5
Exact Mass	520.19446183
Monoisotopic Mass	520.19446183
Topological Polar Surface Area	166 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	1150
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BA2729-5.1	Brusatol

Brusatol

Chemical Information

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