ML385 - Moligand™, ≥99% , Inhibitor of nuclear factor; erythroid 2 like 2, CAS No.846557-71-9, Inhibitor of nuclear factor; erythroid 2 like 2

CAS: 846557-71-9 Cat. No.: M304758 Peso molecular: 511.59
Disponible para pedir
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
Synonyms
N-[4-[2,3-Dihydro-1-(2-methylbenzoyl)-1H-indol-5-yl]-5-methyl-2-thiazolyl]-1,3-benzodioxole-5-acetamide | 2-(Benzo[d][1,3]dioxol-5-yl)-N-(5-methyl-4-(1-(2-methylbenzoyl)indolin-5-yl)thiazol-2-yl)acetamide
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
M304758-5mg
3
44,90US$
25mg
M304758-25mg
3
149,90US$
100mg
M304758-100mg
1
379,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

ML385 is a specific nuclear factor erythroid 2-related factor 2 (NRF2) inhibitor with an IC50 of 1.9 μM.

Specifications

Sinónimos
N-[4-[2, 3-Dihydro-1-(2-methylbenzoyl)-1H-indol-5-yl]-5-methyl-2-thiazolyl]-1, 3-benzodioxole-5-acetamide | 2-(Benzo[d][1, 3]dioxol-5-yl)-N-(5-methyl-4-(1-(2-methylbenzoyl)indolin-5-yl)thiazol-2-yl)acetamide
Especificaciones y pureza
Moligand™, ≥99%
Mecanismos bioquímicos y fisiológicos
Nrf2 inhibitor. Blocks Nrf2 downstream target gene expression. Enhances cytotoxic effects ofdoxorubicin orTaxol in non-small cell lung cancer (NSCLC). Demonstrates selectivity for NSCLC cells with KEAP1 mutations.
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Grado
Moligand™
Tipo de acción
INHIBITOR
Mecanismo de acción
Inhibitor of nuclear factor; erythroid 2 like 2
Pureza
≥99%
Nombres e identificadores
Pubchem Sid488191809
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488191809
Sonrisas canónicasCC1=CC=CC=C1C(=O)N2CCC3=C2C=CC(=C3)C4=C(SC(=N4)NC(=O)CC5=CC6=C(C=C5)OCO6)C
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
InChIKeyLINHYWKZVCNAMQ-UHFFFAOYSA-N
INCHI1S/C29H25N3O4S/c1-17-5-3-4-6-22(17)28(34)32-12-11-20-15-21(8-9-23(20)32)27-18(2)37-29(31-27)30-26(33)14-19-7-10-24-25(13-19)36-16-35-24/h3-10,13,15H,11-12,14,16H2,1-2H3,(H,30,31,33)
Isómeros SMILES CC1=CC=CC=C1C(=O)N2CCC3=C2C=CC(=C3)C4=C(SC(=N4)NC(=O)CC5=CC6=C(C=C5)OCO6)C
Peso molecular 511.59
Reaxy-Rn 27498158
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27498158&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
SuperclassOrganoheterocyclic compounds
ClaseIndoles and derivatives
SubclassIndolecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentIndolecarboxylic acids and derivatives
Alternative Parents o-Toluamides  Benzamides  Benzodioxoles  2,4,5-trisubstituted thiazoles  N-arylamides  Benzoyl derivatives  Tertiary carboxylic acid amides  Heteroaromatic compounds  Secondary carboxylic acid amides  Oxacyclic compounds  Acetals  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indolecarboxylic acid derivative - Benzamide - O-toluamide - Toluamide - Benzodioxole - Benzoic acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - N-arylamide - Toluene - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Azacycle - Oxacycle - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
NFE2L2 Tchem Nuclear factor erythroid 2-related factor 2 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLB Tchem DNA polymerase beta (23632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Cruzipain (33337 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NS1 Nonstructural protein 1 (33327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

26 results found

Lot NumberCertificate TypeFechaArticulo
E23291205Certificate of AnalysisMar 11, 2026 M304758
B2309543Certificate of AnalysisOct 30, 2025 M304758
B2309557Certificate of AnalysisOct 30, 2025 M304758
K2512594Certificate of AnalysisOct 25, 2025 M304758
K2512568Certificate of AnalysisOct 25, 2025 M304758
D2503360Certificate of AnalysisFeb 10, 2025 M304758
D2503376Certificate of AnalysisFeb 10, 2025 M304758
D2503379Certificate of AnalysisFeb 10, 2025 M304758
H2429550Certificate of AnalysisJul 25, 2024 M304758
H2429547Certificate of AnalysisJul 25, 2024 M304758
H2429545Certificate of AnalysisJul 25, 2024 M304758
H2106164Certificate of AnalysisMay 11, 2024 M304758
E2421319Certificate of AnalysisMay 08, 2024 M304758
E2421318Certificate of AnalysisMay 08, 2024 M304758
K2302435Certificate of AnalysisOct 20, 2023 M304758
K2302436Certificate of AnalysisOct 20, 2023 M304758
K2302468Certificate of AnalysisOct 20, 2023 M304758
E23291204Certificate of AnalysisMay 17, 2023 M304758
E23291197Certificate of AnalysisMay 17, 2023 M304758
E23291189Certificate of AnalysisMay 17, 2023 M304758
B2309481Certificate of AnalysisNov 28, 2022 M304758
B2309540Certificate of AnalysisNov 28, 2022 M304758
B2309485Certificate of AnalysisNov 28, 2022 M304758
H2205473Certificate of AnalysisJun 15, 2022 M304758
H2205474Certificate of AnalysisJun 15, 2022 M304758
H2205475Certificate of AnalysisJun 15, 2022 M304758

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Propiedades químicas y físicas
SolubilidadSolvent:DMSO, Max Conc. mg/mL: 25.58, Max Conc. mM: 50
Peso molecular511.600 g/mol
XLogP35.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass511.157 Da
Monoisotopic Mass511.157 Da
Topological Polar Surface Area109.000 Ų
Heavy Atom Count37
Formal Charge0
Complexity844.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Preguntas frecuentes y artículos
Citations of This Product
Referencias
1. Fan Wenbo, Zhou Jianwu.  (2023)  Icariside II Suppresses Ferroptosis to Protect Against MPP+-Induced Parkinson's Disease through Keap1/Nrf2/GPX4 Signaling.  CHINESE JOURNAL OF PHYSIOLOGY,  66  (6): (437).  [PMID:38149556] [10.4103/cjop.CJOP-D-23-00107]
2. Bing-hao Lin, Run-xun Ma, Jing-tao Wu, Shi-qi Du, Yi-yun Lv, Hao-nan Yu, Wei Zhang, Shu-ming Mao, Guang-yao Liu, Yi-tian Bu, Zi-hao Chen, Chen Jin, Zong-yi Wu, Lei Yang.  (2023)  Cinnamaldehyde Alleviates Bone Loss by Targeting Oxidative Stress and Mitochondrial Damage via the Nrf2/HO-1 Pathway in BMSCs and Ovariectomized Mice.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:37917162] [10.1021/acs.jafc.3c03501]
3. Yue Tang, Yueyue Kang, Xinru Zhang, Caiyi Cheng.  (2023)  Mesenchymal stem cell exosomes as nanotherapeutics for dry age-related macular degeneration.  JOURNAL OF CONTROLLED RELEASE,      [PMID:37028452] [10.1016/j.jconrel.2023.04.003]
4. Hengju Ge, Jiaxin Li, Yang Xu, Jiahong Xie, Naymul Karim, Fujie Yan, Jianling Mo, Wei Chen.  (2023)  Ameliorative effect of Fructus Gardeniae against lipotoxicity associated hepatocytes injury through activating Nrf2 signaling pathway.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2023.102596]
5. Yun Zhang, Maihuan Wang, Kebin Zhang, Junze Zhang, Xinpu Yuan, Guijun Zou, Zhen Cao, Chaojun Zhang.  (2022)  6′-O-Galloylpaeoniflorin attenuates Helicobacter pylori-associated gastritis via modulating Nrf2 pathway.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:35964411] [10.1016/j.intimp.2022.109122]
6. Xing-Jie Zhang, Yu-Kun Pu, Peng-Yun Yang, Meng-Ru Wang, Rui-Han Zhang, Xiao-Li Li, Wei-Lie Xiao.  (2024)  Isolicoflavonol ameliorates acute liver injury via inhibiting NLRP3 inflammasome activation through boosting Nrf2 signaling in vitro and in vivo.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:39366075] [10.1016/j.intimp.2024.113233]
7. Xiao Lifang, Wang Mengyao, Li Jingjing, Wang Haoran, Pu Niu, Bo Xitong, Chen Fuxiang, Zhou Yilong, Cheng Qiong.  (2025)  Pyrroloquinoline Quinone Preconditioning Alleviates Ischemic Cerebral Injury Through Antioxidant and Anti-Inflammatory Mechanisms.  Journal of Neuroimmune Pharmacology,  20  (1): (1-15).  [PMID:40696055] [10.1007/s11481-025-10234-1]
8. Yang Tang, Zheng Wang, Feng Zhou, Ling Li, Chen Sun, Linhui Li, Fei Tang, Dongqin Huang, Zewei Li, Yang Tan, Gang Pei.  (2025)  Benzoylpaeoniflorin alleviates ulcerative colitis by inhibiting ferroptosis through targeting phosphogluconic dehydrogenase.  PHYTOMEDICINE,      [PMID:40829505] [10.1016/j.phymed.2025.157111]
9. Cong Zhang, Yangkun Xiong, Mingyang Gong, Haixia Zhao, Shan Li, Xin Chen, Xiaochuan Ye, Zhenpeng Qiu.  (2025)  Pachymic Acid Ameliorates Fructose-Driven Hyperuricemic Nephropathy in Mice by Suppressing Ferroptosis via Activating Nrf2/GPX-4 Pathway.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:40864644] [10.1021/acs.jafc.5c02398]
10. Song-Xue Yang, Wei-Lie Xiao, Xing-Jie Zhang.  (2025)  Essential oil of Saposhnikovia divaricata mitigates Cutibacterium acnes-induced inflammatory acne via Nrf2 pathway activation and NF-κB pathway inhibition.  JOURNAL OF ETHNOPHARMACOLOGY,      [PMID:41015324] [10.1016/j.jep.2025.120647]
11. Shushu Jiang, Cheng Wang, Yin Dong, Long Chen, Menghao Shi, Fengxiao Zhang, Zhaohui Wang, Minglu Liang.  (2025)  Erucin Alleviates Cardiac Hypertrophy by Improving Mitochondrial Function via Nrf2-Sirt3 Pathway.  PHYTOTHERAPY RESEARCH,      [PMID:40415605] [10.1002/ptr.8458]
Calculadoras de soluciones
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