MSC 2032964A - Moligand™, ≥98%(HPLC) , Inhibitor of mitogen-activated protein kinase kinase kinase 5, CAS No.1124381-43-6, Inhibitor of mitogen-activated protein kinase kinase kinase 5

CAS: 1124381-43-6 Cat. No.: M287311 分子式: C₁₆H₁₃F₃N₆O 分子量: 362.31

グレード＆純度 Moligand™, ≥98%(HPLC)

Synonyms

N-(5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)nicotinamide | AS-74425 | MRF-0000032 | N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide | SCHEMBL2788575 | N-(5-(Cycloprop

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

仕様

同義語

N-(5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)nicotinamide | AS-74425 | MRF-0000032 | N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide | SCHEMBL2788575 | N-(5-(Cycloprop

仕様と純度

Moligand™, ≥98%(HPLC)

生化学的・生理学的メカニズム

Potent and selective ASK1 inhibitor (IC50= 93 nM). Selective for ASK1 over a panel of 210 kinases. Blocks LPS-induced ASK1 and p38 phosphorylation in cultured mouse astrocytes. Suppresses neuroinflammation in a mouse EAE model. Orally bioavailable and bra

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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

Inhibitor of mitogen-activated protein kinase kinase kinase 5

純度

≥98%(HPLC)

名前と識別子

カノニカル・スマイル

C1CC1NC2=CC(=CC3=NC(=NN23)NC(=O)C4=CN=CC=C4)C(F)(F)F

IUPAC Name

N-[5-(cyclopropylamino)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide

InChIKey

XUKGFHHTSUKORV-UHFFFAOYSA-N

INCHI

1S/C16H13F3N6O/c17-16(18,19)10-6-12(21-11-3-4-11)25-13(7-10)22-15(24-25)23-14(26)9-2-1-5-20-8-9/h1-2,5-8,11,21H,3-4H2,(H,23,24,26)

異性体SMILES

C1CC1NC2=CC(=CC3=NC(=NN23)NC(=O)C4=CN=CC=C4)C(F)(F)F

代替CAS番号

1124381-43-6

分子量

362.31

Reaxy-Rn

18991297

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18991297&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Triazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Triazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazolopyridines
• Alternative Parents: Nicotinamides Aminopyridines and derivatives Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Amines Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Triazolopyridine - Aminopyridine - Pyridine - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as triazolopyridines. These are compounds containing a triazole ring fused to a pyridine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• External Descriptors: Not available

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

関連ターゲット（人間）

MAP3K5 Tchem Mitogen-activated protein kinase kinase kinase 5 (2 Activities)

Discover Target: MAP3K5

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 7.25, Max Conc. mM: 20; Solvent:ethanol, Max Conc. mg/mL: 3.62, Max Conc. mM: 10 with gentle warming
• 分子量: 362.310 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 362.11 Da
• Monoisotopic Mass: 362.11 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 529.000
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1124381-43-6, the molecular formula is C16H13F3N6O, and the molecular weight is 362.31 g/mol. InChIKey XUKGFHHTSUKORV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.