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CS-W001157 4
Total: USD 88.00

4-(2-(4-Morpholinophenylamino)pyrimidin-4-yl)benzoic acid

  • CAS No. 945749-71-3

  • Cat. No. CS-M0412
  • Purity≥98%
  • MDL No.MFCD18207174

*For research and further manufacturing use only, not for direct human use.

4-(2-(4-Morpholinophenylamino)pyrimidin-4-yl)benzoic acid|CS-M0412

Structure of 945749-71-3

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General Information

  • CAS No. 945749-71-3
  • Cat. No. CS-M0412
  • Purity ≥98%
  • MDL No. MFCD18207174
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₁H₂₀N₄O₃
  • Molecular Weight 376.41
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=C(C2=NC(NC3=CC=C(N4CCOCC4)C=C3)=NC=C2)C=C1

Description

This pyrimidine-based scaffold integrates a morpholinophenylamino group with a para-benzoic acid moiety, delivering enhanced solubility and metabolic stability. The electron-rich morpholine ring facilitates hydrogen bonding in kinase inhibition contexts, while the carboxylic acid enables conjugation or salt formation. Designed for targeted bioactive molecule development, this compound serves as a key intermediate in pharmaceutical discovery pipelines.

Application

4-(2-(4-Morpholinophenylamino)pyrimidin-4-yl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of kinase-inhibitor scaffolds. The pyrimidine core facilitates efficient coupling reactions, while the morpholinophenylamino moiety enhances solubility and modulates target affinity. Its carboxylic acid group allows for direct derivatization or salt formation, supporting purification and formulation. This compound exhibits bench stability and compatibility with standard synthetic workflows, making it a practical intermediate for drug discovery programs targeting oncology and inflammatory pathways.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   87.58
  • LogP   3.422
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   5

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