Name: Nitisinone - Moligand™, 10mM in DMSO , 4-hydroxyphenylpyruvate dioxygenase inhibitor, CAS No.104206-65-7, 4-hydroxyphenylpyruvate dioxygenase inhibitor
SKU: N420447
Availability: InStock

Nitisinone - Moligand™, 10mM in DMSO , 4-hydroxyphenylpyruvate dioxygenase inhibitor, CAS No.104206-65-7, 4-hydroxyphenylpyruvate dioxygenase inhibitor

CAS: 104206-65-7 Cat. No.: N420447 分子式: C₁₄H₁₀F₃NO₅ 分子量: 329.23 EC番号: 691-056-0

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Nitisinone - Moligand™, 10mM in DMSO CAS No(104206-65-7) by Aladdin Scientific

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注文可能

GRADE & PURITY Moligand™ ? 10mM in DMSO

Synonyms

FT-0672739 | NITISINONE [MART.] | 2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione | 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione;Nitisinone | NCI60_038570 | Orfadin (TN) | RB3134 | Q3877355 | SY047291 | 2-(2-nitro-4-trifluoromet

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要 Specifications 製品の性質名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質 Citations of This Product 参考文献ソリューション計算機レビュー

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Why this grade

Moligand™, 10mM in DMSO Moligand™ 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

Application:
Nitisinone has been used:to induce liver injury,to treat Ixodes scapularis tick cells to inhibit the activity of hydroxyphenylpyruvate dioxygenase,in supplemented water to block the accumulation of toxic metabolites in human hepatocyte engrafted mice,to study its effect on bacterial pyomelanin production

Specifications

同義語

仕様と純度

Moligand™, 10mM in DMSO

生化学的・生理学的メカニズム

Biochem/physiol Actions Nitisinone is a competitive inhibitor that reversibly inhibits 4-Hydroxyphenylpyruvate oxidase (dioxygenase). Nitisinone is used in the treatment of hereditary tyrosinemia type 1, where it blocks the degradation of tyrosine into ha

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

4-hydroxyphenylpyruvate dioxygenase inhibitor

製品の性質

ALogP	2.3

名前と識別子

パブケム・シド	528766395
カノニカル・スマイル	C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
IUPAC Name	2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione
InChIKey	OUBCNLGXQFSTLU-UHFFFAOYSA-N
INCHI	1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2
異性体SMILES	C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
WGKドイツ	3
分子量	329.23
Reaxy-Rn	8639943
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8639943&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

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - 分類 Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones
        Level9 Benzoylcyclohexane-1,3-diones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
分類	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones - Alkyl-phenylketones
Direct Parent	Benzoylcyclohexane-1,3-diones
Alternative Parents	Trifluoromethylbenzenes Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Aryl alkyl ketones Beta-diketones Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoylcyclohexane-1,3-dione - Trifluoromethylbenzene - Nitrobenzene - Benzoyl - Nitroaromatic compound - Aryl alkyl ketone - 1,3-diketone - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Organic nitro compound - C-nitro compound - Cyclic ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organofluoride - Organic oxide - Organohalogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
説明	This compound belongs to the class of organic compounds known as benzoylcyclohexane-1,3-diones. These are alkyl-phenylketones where the alkyl group is a cyclohexane 1,3-dione.
External Descriptors	C-nitro compound - (trifluoromethyl)benzenes - cyclohexanones
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

3 D構造

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レビュー

📚 Citations by Application

Extraction & workup solvent1

Organic synthesis — reaction medium1

Drug / compound screening1

IC50 determination1

Other applications1

View all 2 citations →

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感度	Heat sensitive
融点（°C）	138 °C
分子量	329.230 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	329.051 Da
Monoisotopic Mass	329.051 Da
Topological Polar Surface Area	97.000 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	524.000
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. Yi-Xuan Fu, Wu-Yingzheng Guo, Nan Wang, Yi-Jie Dai, Zi-Ye Zhang, Xin-Lin Sun, Wen-Chao Yang, Guang-Fu Yang. (2022) Diagnosis of Bacterial Plant Diseases via a Nitroreductase-Activated Fluorescent Sensor. ANALYTICAL CHEMISTRY, [PMID:36469707] [10.1021/acs.analchem.2c04614]
2. Jin Dong, Yi-Xuan Fu, Bai-Feng Zheng, Meng-Xi Chen, Qiong Chen, Kandegama Wishwajith, Jiangqing Dong, Hong-Yan Lin, Guang-Fu Yang. (2025) Repurposing 4-Hydroxyphenylpyruvate dioxygenase inhibitors as novel agents for mosquito control: A structure-based design approach. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:40412679] [10.1016/j.ijbiomac.2025.144566]