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CS-W001157 4
Total: USD 88.00

4-(Benzylamino)-2-(methylsulfonyl)pyrimidine-5-carboxamide

  • CAS No. 643086-98-0

  • Cat. No. CS-0580498
  • Molecule weight306.34
  • Purity≥98%
  • MDL No.None

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

4-(Benzylamino)-2-(methylsulfonyl)pyrimidine-5-carboxamide|CS-0580498

Structure of 643086-98-0

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General Information

  • CAS No. 643086-98-0
  • Cat. No. CS-0580498
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄N₄O₃S
  • Molecular Weight 306.34
  • Synonym(s) 5-PyriMidinecarboxaMide, 2-(Methylsulfonyl)-4-[(phenylMethyl)aMino]-
  • SMILES CS(=O)(=O)C1=NC=C(C(=N1)NCC2=CC=CC=C2)C(=O)N

Synthesis

  • Route1
    • 4-(Benzylamino)-2-(methylthio)pyrimidine-5-carboxamide|CS-0079040
      919486-26-3
    • ~88%
    • 4-(Benzylamino)-2-(methylsulfonyl)pyrimidine-5-carboxamide|CS-0580498
      643086-98-0

    References

    • Nagashima, Shinya; Yokota, Masaki; Nakai, Ei-ichi; Kuromitsu, Sadao; Ohga, Keiko; Takeuchi, Makoto; Tsukamoto, Shin-ichi; Ohta, Mitsuaki Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 2 p. 1044 - 1055
  • Route2
    • 4-(Benzylamino)-2-(methylthio)pyrimidine-5-carboxylic acid|CS-0670110
      686267-34-5
    • ~%
    • 4-(Benzylamino)-2-(methylsulfonyl)pyrimidine-5-carboxamide|CS-0580498
      643086-98-0

    References

    • Nagashima, Shinya; Yokota, Masaki; Nakai, Ei-ichi; Kuromitsu, Sadao; Ohga, Keiko; Takeuchi, Makoto; Tsukamoto, Shin-ichi; Ohta, Mitsuaki Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 2 p. 1044 - 1055
  • Route3
    • Ethyl 4-chloro-2-(methylthio)pyrimidine-5-carboxylate Avanafil  Impurity|CS-0228709
      5909-24-0
    • ~%
    • 4-(Benzylamino)-2-(methylsulfonyl)pyrimidine-5-carboxamide|CS-0580498
      643086-98-0

    References

    • Nagashima, Shinya; Yokota, Masaki; Nakai, Ei-ichi; Kuromitsu, Sadao; Ohga, Keiko; Takeuchi, Makoto; Tsukamoto, Shin-ichi; Ohta, Mitsuaki Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 2 p. 1044 - 1055

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

Quality Control

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Computational Chemistry Data

  • TPSA   115.04
  • LogP   0.5911
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   5

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