Acumapimod - Moligand™, ≥98% , Inhibitor of mitogen-activated protein kinase 14, CAS No.836683-15-9, Inhibitor of mitogen-activated protein kinase 14

CAS: 836683-15-9 Cat. No.: A607404 分子式: C₂₂H₁₉N₅O₂ 分子量: 385.42

GRADE & PURITY Moligand™, ≥98%

Synonyms

UNII-2F16KW647L | 3-[5-amino-4-(3-cyano-benzoyl)-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide | 3-[5-Amino-4-(3-cyanobenzoyl)-pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide | compound A [WO2013139809] | SCHEMBL1382253 | Acumapimod (BCT-197) | O-Methyl-L-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Acumapimod (BCT197) is a p38 MAP kinase inhibitor, with an IC50 of less than 1 μM for p38α.

Specifications

同義語

UNII-2F16KW647L | 3-[5-amino-4-(3-cyano-benzoyl)-pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide | 3-[5-Amino-4-(3-cyanobenzoyl)-pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide | compound A [WO2013139809] | SCHEMBL1382253 | Acumapimod (BCT-197) | O-Methyl-L-

仕様と純度

Moligand™, ≥98%

保管条件

Protected from light,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 14

純度

≥98%

名前と識別子

• カノニカル・スマイル: CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC=CC(=C4)C#N)N
• IUPAC Name: 3-[5-amino-4-(3-cyanobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
• InChIKey: VGUSQKZDZHAAEE-UHFFFAOYSA-N
• INCHI: 1S/C22H19N5O2/c1-13-5-6-16(22(29)26-17-7-8-17)10-19(13)27-21(24)18(12-25-27)20(28)15-4-2-3-14(9-15)11-23/h2-6,9-10,12,17H,7-8,24H2,1H3,(H,26,29)
• 異性体SMILES: CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C=N3)C(=O)C4=CC=CC(=C4)C#N)N
• 代替CAS番号: 836683-15-9
• MeSH用語: 3-(5-Amino-4-(3-cyanobenzoyl)-1H-pyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide;acumapimod;Benzamide, 3-(5-amino-4-(3-cyanobenzoyl)-1H-pyrazol-1-yl)-N-cyclopropyl-4-methyl-
• 分子量: 385.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoylpyrazoles
• Alternative Parents: Aryl-phenylketones Phenylpyrazoles p-Toluamides Benzamides Benzonitriles Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Nitriles Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzoylpyrazole - Aryl-phenylketone - Phenylpyrazole - Toluamide - Benzamide - Benzoic acid or derivatives - P-toluamide - Aryl ketone - Benzonitrile - Toluene - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Carboxamide group - Ketone - Amino acid or derivatives - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzoylpyrazoles. These are aromatic compounds containing a benzoyl group substituted with a pyrazole ring.
• 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）

MAPK14 Tchem Mitogen-activated protein kinase 14 (1 Activities)

Discover Target: MAPK14

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

化学的性質と物理的性質

• 分子量: 385.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 385.154 Da
• Monoisotopic Mass: 385.154 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 684.000
• 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