Celastrol - Moligand™, ≥98% , CAS No.34157-83-0

CAS: 34157-83-0 Cat. No.: C107672 Peso molecular: 450.61 Número EC: 636-472-5

GRADE & PURITY Moligand™, ≥98%

Synonyms

(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylicacid | IDI1_000718 | MLS002701906 | US9694016, 1156 | NCGC00178913-14 | Spectrum4_001966 | BSPBio_001905 | KBio2_003383 | CHEBI:63959

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Celastrol, Celastrus scandens, a compound originally purified from Tripterygium wilfordii, has been shown to be an anti-peroxidative and anti-angiogenic agent. Mechanistic studies suggest that Celastrol suppresses levels of VEGF and Flk-1 receptors, VEGFR-1 and VEGFR-2, which may reduce signal transduction between the two growth factors. Additionally, Celastrol has demonstrated the ability to disrupt critical interaction of Glu33 (Hsp90) and Arg167 (Cdc37) in the superchaperone complex which causes anti-proliferative activity in vitro and inhibit Topo II (topoisomerase II) activity in vitro (IC50 = 7.41 μM). Celastrol, Celastrus scandens is an inhibitor of Hsp90.

Specifications

Sinónimos

(2R, 4aS, 6aR, 6aS, 14aS, 14bR)-10-hydroxy-2, 4a, 6a, 6a, 9, 14a-hexamethyl-11-oxo-1, 3, 4, 5, 6, 13, 14, 14b-octahydropicene-2-carboxylicacid | IDI1_000718 | MLS002701906 | US9694016, 1156 | NCGC00178913-14 | Spectrum4_001966 | BSPBio_001905 | KBio2_003383 | CHEBI:63959

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Celastrol (Tripterin) is a plant-derived triterpene. Celastrol(Tripterin) has anti-inflammatory and immunosuppressive activity. Celastrol(Tripterin) is Antioxidant and anti-inflammatory agent. Potently inhibits lipid peroxidation in mitochondria and inhib

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504756877
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756877
• Sonrisas canónicas: CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O
• IUPAC Name: (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
• InChIKey: KQJSQWZMSAGSHN-JJWQIEBTSA-N
• INCHI: 1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
• Isómeros SMILES: CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O
• WGK Alemania: 2
• CAS alternativo: 34157-83-0
• Número NSC: 70931
• Número ONU: 2811
• Términos de entrada MeSH: 3-hydroxy-24-nor-2-oxo-1(10),3,5,7-friedelatetraen-29-oic acid;celastrol;tripterin;tripterine
• Peso molecular: 450.61
• Reaxy-Rn: 5780870
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5780870&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Cyclic ketones Monocarboxylic acids and derivatives Enols Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Enol - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• External Descriptors: monocarboxylic acid - pentacyclic triterpenoid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

HIF1A Tchem Hypoxia-inducible factor 1-alpha (1 Activities)

Discover Target: HIF1A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TERT Tchem Telomerase reverse transcriptase (1 Activities)

Discover Target: TERT

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (>10 mg/ml), ethanol, DMF:PBS(pH 7.2)(1:10), and DMF. Insoluble in water.
• Sensibilidad: Heat sensitive
• Rotación específica [α]: -122.7° (C=0.1,CHCl3)
• Punto de fusión (°C): 203°C(lit.)
• Peso molecular: 450.600 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 450.277 Da
• Monoisotopic Mass: 450.277 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 1100.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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

Referencias

1. Ping Sheng, Chao Bu, Tanyue Hui, Lili Zhou, Hao Chen, Guoliang Zhou.  (2023)  Polydopamine-activated celastrol carbon dots for synergistic chemotherapy-photothermal therapy of tumors.  International Journal of Pharmaceutics-X,      [PMID:38033396] [10.1016/j.ijpx.2023.100218]

2. Jiwen Fan, Meng Ren, Weiwei Chen, Haodong Wang, Yuquan He.  (2023)  Celastrol relieves myocardial infarction-induced cardiac fibrosis by inhibiting NLRP3 inflammasomes in rats.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:37343368] [10.1016/j.intimp.2023.110511]

3. Xiaoli Li, Guangbei Zhu, Xintong Yao, Ning Wang, Ronghui Hu, Qingxin Kong, Duanfang Zhou, Liangyuan Long, Jiali Cai, Weiying Zhou.  (2022)  Celastrol induces ubiquitin-dependent degradation of mTOR in breast cancer cells.  OncoTargets and Therapy,      [PMID:30588010] [10.2147/OTT.S187315]

4. Qiang Chen, Chunjing Guo, Zhongxin Liu, Min Cao, Wenxin Wang, Dandan Zhang, Hongxu Geng, Ningning Diao, Daquan Chen.  (2022)  Multifunctional nanoparticles with anti-inflammatory effect for improving metabolic syndromes.  JOURNAL OF DRUG TARGETING,      [PMID:36315421] [10.1080/1061186X.2022.2142595]

5. Bo Yu, Yiping Shen, Xuejie Zhang, Lijuan Ding, Zheng Meng, Xiaotong Wang, Meihua Han, Yifei Guo, Xiangtao Wang.  (2022)  Poly(methacrylate citric acid) as a Dual Functional Carrier for Tumor Therapy.  Pharmaceutics,  14  (9): (1765).  [PMID:36145512] [10.3390/pharmaceutics14091765]

6. Lin Jingpan, Gao Lu, Lin Yanke, Wang Shuai, Yang Zemin, Ren Shujing, Chen Min, Wu Baojian.  (2021)  Pharmacokinetics-Based Chronoefficacy of Semen Strychni and Tripterygium Glycoside Tablet Against Rheumatoid Arthritis.  Frontiers in Pharmacology,      [PMID:34108880] [10.3389/fphar.2021.673263]

7. Niu Weina, Wang Jianguo, Wang Qinyao, Shen Jianjun.  (2020)  Celastrol Loaded Nanoparticles With ROS-Response and ROS-Inducer for the Treatment of Ovarian Cancer.  Frontiers in Chemistry,      [PMID:33195064] [10.3389/fchem.2020.574614]

8. Zhao Huan, Tong Yongbin, Lu Danyi, Wu Baojian.  (2020)  Circadian clock regulates hepatotoxicity of Tripterygium wilfordii through modulation of metabolism.  JOURNAL OF PHARMACY AND PHARMACOLOGY,  72  (12): (1854-1864).  [PMID:32478421] [10.1111/jphp.13299]

9. Jian Lu, Daozhi Liu, Xiaojing Zhou, Ang Chen, Zhenran Jiang, Xiyun Ye, Mingyao Liu, Xin Wang.  (2017)  Plant natural product plumbagin presents potent inhibitory effect on human cytochrome P450 2J2 enzyme.  PHYTOMEDICINE,      [PMID:29433675] [10.1016/j.phymed.2017.12.026]

10. Yang Hongbin, Liu Chang, Jiang Jie, Wang Yuena, Zhang Xiaoyu.  (2017)  Celastrol Attenuates Multiple Sclerosis and Optic Neuritis in an Experimental Autoimmune Encephalomyelitis Model.  Frontiers in Pharmacology,      [PMID:28239352] [10.3389/fphar.2017.00044]

11. Hu Yingying, Nan Yan, Lin Hongzhou, Zhao Qianlei, Chen Tingting, Tao Xiaoyue, Ding Bingqing, Lu Liying, Chen Shangqin, Zhu Jianghu, Guo Xiaoling, Lin Zhenlang.  (2024)  Celastrol ameliorates hypoxic-ischemic brain injury in neonatal rats by reducing oxidative stress and inflammation.  PEDIATRIC RESEARCH,      [PMID:38763946] [10.1038/s41390-024-03246-9]

12. Yunyan Chen, Ziwei Zhang, Zhilei Qian, Rui Ma, Minna Luan, Yu Sun.  (2024)  Sequentially Released Liposomes Enhance Anti-Liver Cancer Efficacy of Tetrandrine and Celastrol-Loaded Coix Seed Oil.  International Journal of Nanomedicine,      [PMID:38288265] [10.2147/IJN.S446895]

13. Wanfen Liao, Aiwen Dong, Fatima Hafeez, Qinyong Ye, En Huang.  (2025)  Celastrol protected the MPTP-injected mice Parkinson's disease model via redox regulation of CDC37.  PHYTOMEDICINE,      [PMID:40652801] [10.1016/j.phymed.2025.157067]

14. Min Wei, Yi Liu, Dongsheng Li, Xingdong Wang, Xiaodong Wang, Yuping Li, Zhengcun Yan, Hengzhu Zhang.  (2024)  Celastrol alleviates secondary brain injury following intracerebral haemorrhage by inhibiting neuronal ferroptosis and blocking blood-brain barrier disruption.  IBRO Neuroscience Reports,      [PMID:39220228] [10.1016/j.ibneur.2024.08.003]

15. Yunpeng Qi, Renping Wang, Liang Zhao, Lei Lv, Fan Zhou, Tian Zhang, Feng Lu, Hongli Yan, Gengli Duan.  (2018)  Celastrol Suppresses Tryptophan Catabolism in Human Colon Cancer Cells as Revealed by Metabolic Profiling and Targeted Metabolite Analysis.  BIOLOGICAL & PHARMACEUTICAL BULLETIN,  41  (8): (1243-1250).  [PMID:30068874] [10.1248/bpb.b18-00171]

16. Simeng Xiao, Yun Zhao, Zhiguo Chen, Yangkun Xiong, Dingmei Zhang, Gang Zhou, Cong Zhang.  (2025)  Celastrol delays the progression of hepatocellular carcinoma by suppressing SLC1A5-mediated glutamine dependence.  TOXICOLOGY AND APPLIED PHARMACOLOGY,      [PMID:41401867] [10.1016/j.taap.2025.117690]

17. Chen Yigang, Ji Xiang, Zhang Ziyue, Zhu Zihao, Zhou Yuming, Su Chang, Lin Yang-Chi-Dung, Huang Hsi-Yuan, Wei Kangping, Lai Yi, Chen Ke, Lin Xingqiao, Zhang Yangyi, Fu Jiehui, Huang Yixian, Cui Shidong, Yen Shih-Chung, Zhang Tao, Warshel Arieh, Huang Hsien-Da.  (2025)  Semi-inductive dataset construction and framework optimization for practical drug target interaction prediction with ScopeDTI.  Nature Communications,  16  (1): (11509).  [PMID:41390462] [10.1038/s41467-025-66311-9]

18. Yangwang Jin, Fei Qin, Ranxing Yang, Wenzhuo Fang, Kaile Zhang, Meng Liu, Ming Yang, Ying Wang, Qiang Fu.  (2026)  Dynamic microenvironment-regulated hydrogels releasing celastrol lead to urethral scarless repair.  Materials Today Bio,      [PMID:41737466] [10.1016/j.mtbio.2026.102917]

19. Jinrun Chen, Yuqin Wu, Bofei Xu, Jiabei Hou, Yijing Li, Yuhan Hu, Yutuo Zhu, Wenqiao Zhang, Shuqi Feng, Huanting Jin, Yuchen Cheng, Yuanyuan Jin, Jianhong Zhou, Xingyi Li.  (2026)  Oral Celastrol Nanomedicine Targeting Intestinal Antigen-Presenting Cells to Effectively Mitigate Autoimmune Uveitis via Gut-Retina Axis.  Advanced Science,      [PMID:41632039] [10.1002/advs.202519503]

20. Huan Liu, Liying Liang, Minggang Wang, Qinfeng Huang, Yu Pan, Xiaojie Wei, Wenchao Zhang.  (2026)  Establishment of a Novel Monoclonal Antibody Based icELISA Method to Determine the Total Content of Ursolic and Oleanolic Acids in Fruits.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2026.109072]

21. Li Zhu, Yue Zheng, Mengjuan Yu, Shan Yu, Yiyun Luo, Ravin Narain, Kaihui Nan, Yangjun Chen.  (2026)  Celastrol-loaded micelles with dual-mucoadhesive strategy for efficient suppression of corneal neovascularization.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.174711]