WH-4-025 - ≥98% , CAS No.1876463-35-2

CAS: 1876463-35-2 Cat. No.: W648282 Formula: C₃₉H₃₈F₃N₇O₅ Molecular Weight: 741.76 PubChem CID: 73707529

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

WH-4-025 is a Salt-inducible kinase (SIK) inhibitor (WO2016023014 A2).

Form:Solid

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

WH-4-025 is a Salt-inducible kinase (SIK) inhibitor (WO2016023014 A2).

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Canonical Smiles

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)OC(=O)N(C3=C(C=C(C=C3)OC)OC)C4=NC(=NC=C4)NC5=CC=C(C=C5)N6CCN(CC6)C

IUPAC Name

[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(2,4-dimethoxyphenyl)-N-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]carbamate

InChIKey

MWWDOHSKUDECFQ-UHFFFAOYSA-N

INCHI

1S/C39H38F3N7O5/c1-25-8-9-26(36(50)44-29-7-5-6-27(23-29)39(40,41)42)22-33(25)54-38(51)49(32-15-14-31(52-3)24-34(32)53-4)35-16-17-43-37(46-35)45-28-10-12-30(13-11-28)48-20-18-47(2)19-21-48/h5-17,22-24H,18-21H2,1-4H3,(H,44,50)(H,43,45,46)

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)OC(=O)N(C3=C(C=C(C=C3)OC)OC)C4=NC(=NC=C4)NC5=CC=C(C=C5)N6CCN(CC6)C

PubChem CID

73707529

Molecular Weight

741.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Phenylpiperazines N-arylpiperazines Phenylcarbamic acid esters Trifluoromethylbenzenes Dimethoxybenzenes p-Toluamides Benzamides Methoxyanilines Anisoles Benzoyl derivatives Dialkylarylamines Phenoxy compounds Aminopyrimidines and derivatives Alkyl aryl ethers N-methylpiperazines Imidolactams Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - Phenylpiperazine - N-arylpiperazine - Phenylcarbamic acid ester - Trifluoromethylbenzene - Dimethoxybenzene - M-dimethoxybenzene - Methoxyaniline - P-toluamide - Benzoic acid or derivatives - Benzamide - Toluamide - Phenol ether - Tertiary aliphatic/aromatic amine - Methoxybenzene - Phenoxy compound - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - Anisole - Alkyl aryl ether - N-alkylpiperazine - N-methylpiperazine - Toluene - Aminopyrimidine - Imidolactam - 1,4-diazinane - Piperazine - Pyrimidine - Heteroaromatic compound - Carbamic acid ester - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Alkyl fluoride - Carbonyl group - Alkyl halide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 125 mg/mL (168.52 mM; Need ultrasonic)