Brusatol - ≥95%(HPLC) , CAS No.14907-98-3

CAS: 14907-98-3 Cat. No.: B167412 Molecular Weight: 520.53
AVAILABLE TO ORDER
GRADE & PURITY ≥95%(HPLC)
Synonyms
NSC 172924 | 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 | 2H-3,11cbeta-(Epoxymethano)phenanthro[10,1-bc]pyra
Storage
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
B167412-5mg
2
$182.90
25mg
B167412-25mg
3
$736.90
50mg
B167412-50mg
3
$1,250.90
100mg
B167412-100mg
2
$1,847.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥95%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

product description:

Brusatol (NSC 172924) is a unique inhibitor of the Nrf2 pathway that sensitizes a broad spectrum of cancer cells to Cisplatin and other chemotherapeutic agents. Brusatol enhances the efficacy of chemotherapy by inhibiting the Nrf2-mediated defense mechanism. Brusatol can be developed into an adjuvant chemotherapeutic agent[1]. Brusatol increases cellular apoptosis。

Specifications

Synonyms
NSC 172924 | 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 | 2H-3, 11cbeta-(Epoxymethano)phenanthro[10, 1-bc]pyra
Specifications & Purity
≥95%(HPLC)
Storage
Protected from light, Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%(HPLC)
Names and Identifiers
Pubchem Sid504754703
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504754703
Canonical SmilesCC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O
IUPAC Namemethyl (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
InChIKeyZZZYHIMVKOHVIH-VILODJCFSA-N
INCHI1S/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
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
Molecular Weight 520.53
Reaxy-Rn 25075818
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25075818&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassPrenol lipids
SubclassTerpene lactones
Intermediate Tree Nodes Not available
Direct ParentQuassinoids
Alternative Parents Triterpenoids  Naphthopyrans  Naphthalenes  Tricarboxylic acids and derivatives  Furopyrans  Beta hydroxy acids and derivatives  Cyclohexenones  Oxepanes  Delta valerolactones  Fatty acid esters  Pyrans  Oxanes  Tetrahydrofurans  Enoate esters  Furans  Methyl esters  1,2-diols  Cyclic alcohols and derivatives  Secondary alcohols  Enols  Dialkyl ethers  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Furopyran - Tricarboxylic acid or derivatives - Delta_valerolactone - Oxepane - Cyclohexenone - Beta-hydroxy acid - Fatty acid ester - Delta valerolactone - Hydroxy acid - Oxane - Pyran - Fatty acyl - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Furan - Methyl ester - Tetrahydrofuran - Ketone - 1,2-diol - Cyclic ketone - Lactone - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Enol - Ether - Polyol - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as quassinoids. These are a group of compounds chemically degraded from triterpenes. According to their basic skeleton, quassinoids are categorized into five distinct groups, C-18, C-19, C-20, C-22 and C-25 types. The C-20 quassinoids can be further classified into two types, tetracyclic and the pentacyclic. The tetracyclic variety does not have oxygenation at C-20, while the pentacyclic quassinoids possess additional oxygenation at C-20 that allows for the formation of an additional ring.
External Descriptors Dammarenes
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NR2F2 Tchem COUP transcription factor 2 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NFE2L2 Tchem Nuclear factor erythroid 2-related factor 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PANC-1 (6144 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SW1990 (722 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate TypeDateItem
D2511019Certificate of AnalysisApr 23, 2025 B167412
C2223326Certificate of AnalysisJan 09, 2025 B167412
C2223327Certificate of AnalysisJan 09, 2025 B167412
C2223365Certificate of AnalysisJan 09, 2025 B167412
C2223366Certificate of AnalysisJan 09, 2025 B167412
Chemical and Physical Properties
SensitivitySensitive to humidity; Sensitive to light
Molecular Weight520.500 g/mol
XLogP30.900
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass520.194 Da
Monoisotopic Mass520.194 Da
Topological Polar Surface Area166.000 Ų
Heavy Atom Count37
Formal Charge0
Complexity1150.000
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
1. Wang Zhi-shun, Shu Bo, Han Qi, Li Guo-hao, Guo Yong-lian.  (2023)  Effects of grape seed-derived proanthocyanidin B2 pretreatment on oxidative stress, endoplasmic reticulum stress and apoptosis of renal tubular epithelial cells in renal ischemia–reperfusion injury model of mice.  INTERNATIONAL UROLOGY AND NEPHROLOGY,      [PMID:36935438] [10.1007/s11255-023-03494-4]
2. Na Wei, Tan Lu, Libin Yang, Yonghan Dong, Xiaotan Liu.  (2021)  Lipoxin A4 protects primary spinal cord neurons from Erastin-induced ferroptosis by activating the Akt/Nrf2/HO-1 signaling pathway.  FEBS Open Bio,  11  (8): (2118-2126).  [PMID:34048148] [10.1002/2211-5463.13203]
3. Mengmeng Zhang, Tianchui Wang, Sixian Ou, Yucong Zou, Xuan Xin.  (2024)  Betaine activates the Nrf2-Keap1-ARE pathway by increasing the methylation level of Keap1 DNA promoter.  INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY,  59  (9): (6231-6242).  [PMID:] [10.1111/ijfs.17359]
4. Zhi-shun Wang, Qi Han, Hao Shen, Bo Shu, Cheng-cheng Ying, Guo-hao Li, Yong-lian Guo.  (2025)  Impact of grape seed proanthocyanidin B2 pretreatment on mitochondrial oxidative stress, endoplasmic reticulum stress, and apoptosis in renal tubular epithelial cells during in-vitro hypoxia-reoxygenation.  Acta Cirurgica Brasileira,      [PMID:40498953] [10.1590/acb404125]
Solution Calculators
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