Name: Thymoquinone - 10mM in DMSO , CAS No.490-91-5
SKU: T424250
Availability: InStock

Thymoquinone - 10mM in DMSO , CAS No.490-91-5

CAS: 490-91-5 Cat. No.: T424250 Fórmula: C₁₀H₁₂O₂ Peso molecular: 164.2 Número EC: 207-721-1 PubChem CID: 10281

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Thymoquinone - 10mM in DMSO CAS No(490-91-5) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY 10mM in DMSO

Synonyms

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Citations of This Product Referencias Calculadoras de soluciones Reseñas

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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

Cited in 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Thymoquinone (TQ), also known as 2-isopropyl-5-methyl-1, 4-benzoquinone, is present in a crystalline triclinic form. It is the bioactive constituent of the volatile oil of black seed. TQ exhibits anti-inflammatory, antioxidant and anti-neoplastic effects both in vitro and in vivo.
Thymoquinone has been used as an inhibitor of Escherichia coli ATP synthase and cell growth. It is also used as a drug against lower limb ischemia-reperfusion injury of sciatic nerve and femoral muscle.

Specifications

Sinónimos

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

Pubchem Sid	528773710
Sonrisas canónicas	CC1=CC(=O)C(=CC1=O)C(C)C
IUPAC Name	2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
InChIKey	KEQHJBNSCLWCAE-UHFFFAOYSA-N
INCHI	1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
Isómeros SMILES	CC1=CC(=O)C(=CC1=O)C(C)C
WGK Alemania	3
RTECS	GU5330000
PubChem CID	10281
Peso molecular	164.2
Reaxy-Rn	1939047

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

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Clase Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Cyclic ketones
        Level7 Quinones
        Level8 Benzoquinones
        Level9 P-benzoquinones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Clase	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Cyclic ketones - Quinones - Benzoquinones
Direct Parent	P-benzoquinones
Alternative Parents	Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	P-benzoquinone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.
External Descriptors	Not available
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

Estructura 3D

Objetivos asociados (humanos)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EEF2K Tchem Serine/threonine-protein kinase EEF2K (1246 Activities)

Discover Target: EEF2K

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CCRF-CEM (65223 Activities)

Punto de inflamación (°F)	103 °C
Punto de inflamación (°C)	103°C
Punto de ebullición (°C)	232°C
Punto de fusión (°C)	46°C
Peso molecular	164.200 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	164.084 Da
Monoisotopic Mass	164.084 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	293.000
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. Jing-Jing Liu, Zhan-Yi Wang, Bin-Bin Jiang, Shu-Qin Gao, Ying-Wu Lin. (2023) Protective effect of thymoquinone on glycation of human myoglobin induced by d-ribose. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:37741485] [10.1016/j.ijbiomac.2023.127016]
2. Feixu Mo, Xianfeng Hu, Yi Ding, Rongyu Li, Youhua Long, Xiaomao Wu, Ming Li. (2021) Naturally produced magnolol can significantly damage the plasma membrane of Rhizoctonia solani. PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY, [PMID:34446208] [10.1016/j.pestbp.2021.104942]
3. Xu Huan, Liu Bing, Xiao Zhen, Zhou Meiling, Ge Lin, Jia Fan, Liu Yanling, Jin Hongshan, Zhu Xiuliang, Gao Jian, Akhtar Javed, Xiang Bai, Tan Ke, Wang Guanyu. (2021) Computational and Experimental Studies Reveal That Thymoquinone Blocks the Entry of Coronaviruses Into In Vitro Cells. Infectious Diseases and Therapy, 10 (1): (483-494). [PMID:33532909] [10.1007/s40121-021-00400-2]
4. Xiao Tu, Chenxi Duan, Siwei Wu, Shengli Fu, Jianmin Ye. (2021) Identification of plumbagin as an effective chemotherapeutic agent for treatment of Gyrodactylus infections. AQUACULTURE, [PMID:] [10.1016/j.aquaculture.2021.736372]
5. Kaitong Jia, Lei Wu, Ziru Li, Tian Wei, Tingting Fan, Guiran Xiao. (2025) Thymoquinone Ameliorates Gut Epithelial Injury by Suppressing the JNK Signaling Pathway Based on Its Anti-Oxidant Property. Food Science & Nutrition, 13 (4): (e70113). [PMID:40129997] [10.1002/fsn3.70113]
6. Wei-Wei Zheng, Jia-Xuan Ding, Yang-Xin Liang, Ling Ye. (2025) Hydroxypropyl‑β‑cyclodextrin/thymoquinone inclusion complex inhibits non‑small cell lung cancer progression through NF‑κB‑mediated ferroptosis. ONCOLOGY REPORTS, 54 (6): (1-14). [PMID:40970359] [10.3892/or.2025.8990]
7. Jing-Jing Liu, Si-Dian Miao, Zhan-Yi Wang, Ya-Han Zhu, Bin-Bin Jiang, Shuang-Shuang Long, Shu-Qin Gao, Ying-Wu Lin. (2026) Inhibition of d-ribose-induced glycation of metalloprotein human myoglobin by bioactive quinones. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:] [10.1016/j.saa.2026.127817]

Thymoquinone - 10mM in DMSO , CAS No.490-91-5

Why this grade

Storage & shipping

Quality documents

Literature proof

Descripción general

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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📚 Citations by Application

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