RMM 46 - ≥98%(HPLC) , CAS No.1307896-46-3

CAS: 1307896-46-3 Cat. No.: R288282 Formula: C₂₄H₂₆N₄O₅ Peso molecolare: 450.5 PubChem CID: 67206797

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-Cyano-N-(2-hydroxy-1,1-dimethylethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]-2-propenamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

2-Cyano-N-(2-hydroxy-1,1-dimethylethyl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]-2-propenamide

Specifiche e purezza

≥98%(HPLC)

Meccanismi biochimici e fisiologici

MSK/RSK family kinase inhibitor. Exhibits selectivity for RSK2 over NEK2 and PLK1 (IC50s are 12, 530 and 2200 nM, respectively). Inhibits MSK1, MSK2, RSK2 and RSK3 in cellular assays. Reduces CREB phosphorylation in HeLa cells.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(HPLC)

Nomi e identificatori

Sorrisi canonici

CC(C)(CO)NC(=O)C(=CC1=CC2=C(C=C1)NN=C2C3=CC(=C(C(=C3)OC)OC)OC)C#N

IUPAC Name

(E)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide

InChIKey

FCCMYBKAZCDQGX-LZYBPNLTSA-N

INCHI

1S/C24H26N4O5/c1-24(2,13-29)26-23(30)16(12-25)8-14-6-7-18-17(9-14)21(28-27-18)15-10-19(31-3)22(33-5)20(11-15)32-4/h6-11,29H,13H2,1-5H3,(H,26,30)(H,27,28)/b16-8+

Isomeri SMILES

CC(C)(CO)NC(=O)/C(=C/C1=CC2=C(C=C1)NN=C2C3=CC(=C(C(=C3)OC)OC)OC)/C#N

PubChem CID

67206797

Peso molecolare

450.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamic acids and derivatives
      • Subclass Cinnamic acid amides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamic acids and derivatives
• Subclass: Cinnamic acid amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid amides
• Alternative Parents: Phenylpyrazoles Indazoles Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cinnamic acid amide - Phenylpyrazole - Benzopyrazole - Indazole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Nitrile - Carbonitrile - Organoheterocyclic compound - Ether - Primary alcohol - Organonitrogen compound - Organooxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 45.05, Max Conc. mM: 100
• Peso molecolare: 450.500 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 450.19 Da
• Monoisotopic Mass: 450.19 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 749.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1