Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
ML385 is a specific nuclear factor erythroid 2-related factor 2 (NRF2) inhibitor with an IC50 of 1.9 μM.
| Pubchem Sid | 488191809 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191809 |
| Sonrisas canónicas | CC1=CC=CC=C1C(=O)N2CCC3=C2C=CC(=C3)C4=C(SC(=N4)NC(=O)CC5=CC6=C(C=C5)OCO6)C |
| IUPAC Name | 2-(1,3-benzodioxol-5-yl)-N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide |
| InChIKey | LINHYWKZVCNAMQ-UHFFFAOYSA-N |
| INCHI | 1S/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= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxylic 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 Framework | Aromatic 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 |
| Descripción | This 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 |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Mar 11, 2026 | M304758 | |
| Certificate of Analysis | Oct 30, 2025 | M304758 | |
| Certificate of Analysis | Oct 30, 2025 | M304758 | |
| Certificate of Analysis | Oct 25, 2025 | M304758 | |
| Certificate of Analysis | Oct 25, 2025 | M304758 | |
| Certificate of Analysis | Feb 10, 2025 | M304758 | |
| Certificate of Analysis | Feb 10, 2025 | M304758 | |
| Certificate of Analysis | Feb 10, 2025 | M304758 | |
| Certificate of Analysis | Jul 25, 2024 | M304758 | |
| Certificate of Analysis | Jul 25, 2024 | M304758 | |
| Certificate of Analysis | Jul 25, 2024 | M304758 | |
| Certificate of Analysis | May 11, 2024 | M304758 | |
| Certificate of Analysis | May 08, 2024 | M304758 | |
| Certificate of Analysis | May 08, 2024 | M304758 | |
| Certificate of Analysis | Oct 20, 2023 | M304758 | |
| Certificate of Analysis | Oct 20, 2023 | M304758 | |
| Certificate of Analysis | Oct 20, 2023 | M304758 | |
| Certificate of Analysis | May 17, 2023 | M304758 | |
| Certificate of Analysis | May 17, 2023 | M304758 | |
| Certificate of Analysis | May 17, 2023 | M304758 | |
| Certificate of Analysis | Nov 28, 2022 | M304758 | |
| Certificate of Analysis | Nov 28, 2022 | M304758 | |
| Certificate of Analysis | Nov 28, 2022 | M304758 | |
| Certificate of Analysis | Jun 15, 2022 | M304758 | |
| Certificate of Analysis | Jun 15, 2022 | M304758 | |
| Certificate of Analysis | Jun 15, 2022 | M304758 |
| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 25.58, Max Conc. mM: 50 |
|---|---|
| Peso molecular | 511.600 g/mol |
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 511.157 Da |
| Monoisotopic Mass | 511.157 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 844.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 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] |
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