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2,5-Dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine

  • CAS No. 761440-16-8

  • Cat. No. CS-M2830
  • Molecule weight346.23
  • Purity≥98%
  • MDL No.MFCD12827956

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

2,5-Dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine|CS-M2830

Structure of 761440-16-8

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General Information

  • CAS No. 761440-16-8
  • Cat. No. CS-M2830
  • Purity ≥98%
  • MDL No. MFCD12827956
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₃Cl₂N₃O₂S
  • Molecular Weight 346.23
  • Synonym(s) 2,5-Dichloro-N-(2-(iso-propylsulfonyl)phenyl)-pyrimidin-4-amine
  • SMILES O=S(C1=CC=CC=C1NC2=NC(Cl)=NC=C2Cl)(C(C)C)=O

Description

This pyrimidine derivative features a dichloro-substituted ring paired with an isopropylsulfonyl aryl group, delivering enhanced solubility and metabolic stability. The scaffold integrates seamlessly into kinase inhibitor frameworks, enabling efficient coupling in medicinal chemistry campaigns under standard conditions.

Synthesis

  • Route1

    References

    • Marsilje, Thomas H.; Pei, Wei; Chen, Bei; Lu, Wenshuo; Uno, Tetsuo; Jin, Yunho; Jiang, Tao; Kim, Sungjoon; Li, Nanxin; Warmuth, Markus; Sarkisova, Yelena; Sun, Frank; Steffy, Auzon; Pferdekamper, Annemarie C.; Li, Allen G.; Joseph, Sean B.; Kim, Young; Liu, Bo; Tuntland, Tove; Cui, Xiaoming; Gray, Nathanael S.; Steensma, Ruo; Wan, Yongqin; Jiang, Jiqing; Chopiuk, Greg; Li, Jie; Gordon, W. Perry; Richmond, Wendy; Johnson, Kevin; Chang, Jonathan; Groessl, Todd; He, You-Qun; Phimister, Andrew; Aycinena, Alex; Lee, Christian C.; Bursulaya, Badry; Karanewsky, Donald S.; Seidel, H. Martin; Harris, Jennifer L.; Michellys, Pierre-Yves Journal of Medicinal Chemistry, 2013 , vol. 56, # 14 p. 5675 - 5690
  • Route2
    • 1-(Isopropylsulfanyl)-2-nitrophenyl|CS-0010399
      70415-85-9
    • ~%
    • In-stock
      2,5-Dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-4-amine|CS-M2830
      761440-16-8

    References

    • WO2011/140338 A1, ;
  • Route3

    References

    • WO2011/140338 A1, ;

Safety Information

Download SDS
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   71.95
  • LogP   3.7091
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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