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CS-W001157 4
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(S)-N4-(3-chloro-4-fluorophenyl)-7-(tetrahydrofuran-3-yloxy)quinazoline-4,6-diamine

  • CAS No. 314771-76-1

  • Cat. No. CS-M0993
  • Purity≥98%
  • MDL No.MFCD18642925

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

(S)-N4-(3-chloro-4-fluorophenyl)-7-(tetrahydrofuran-3-yloxy)quinazoline-4,6-diamine|CS-M0993

Structure of 314771-76-1

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General Information

  • CAS No. 314771-76-1
  • Cat. No. CS-M0993
  • Purity ≥98%
  • MDL No. MFCD18642925
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₁₆ClFN₄O₂
  • Molecular Weight 374.80
  • Synonym(s) 7-((S)-tetrahydrofuran-3-yloxy)-4-(3-chloro-4-fluorophenyl)amino-6-aminoquinazoline
  • SMILES NC(C=C1C(NC2=CC=C(C(Cl)=C2)F)=NC=NC1=C3)=C3O[C@H]4CCOC4

Description

This quinazoline derivative features a chiral (S)-configured nitrogen substitution and a tetrahydrofuran-3-yloxy side chain, enhancing solubility and metabolic stability. The 3-chloro-4-fluorophenyl group imparts strong electron-withdrawing character, enabling precise modulation of binding affinity in kinase inhibition studies. Designed for targeted drug discovery applications.

Application

(S)-N⁴-(3-chloro-4-fluorophenyl)-7-(tetrahydrofuran-3-yloxy)quinazoline-4,6-diamine serves as a key intermediate in the synthesis of kinase inhibitors, leveraging its well-defined quinazoline core and orthogonal functional groups. The tetrahydrofuran-3-yloxy moiety provides enhanced solubility and metabolic stability, while the (S)-configured amine enables stereoselective downstream coupling reactions. This compound exhibits excellent bench stability and facilitates efficient purification, making it a practical building block for medicinal chemistry campaigns targeting ATP-competitive inhibitors.

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

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Computational Chemistry Data

  • TPSA   82.29
  • LogP   3.9158
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   4

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